27 August Poster Session
 
 
 
 
01 Instrumentation and Experimental Techniques
10. Area Detectors (Multi-wire, Image Plate, CCD)

A New Area Detector for Ultra-fast X-ray Diffraction Analysis
Authors: K. Sugimoto, T. Taguchi, M. Kuribayashi
Keywords: XRD, area detector, high speed
Poster Session: 27 Board: 1 Page in the Book of Abstracts: C145
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Obtaining Accurate Lattice Parameters from Debye-Scherrer Image Plate Data
Authors: J. Hester, B. Kennedy
Keywords: lattice parameter refinement, image plate, thermal expansion
Poster Session: 27 Board: 2 Page in the Book of Abstracts: C145
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Data Collection System for Protein Crystallography using CMOS Image Sensor
Authors: K. Hasegawa, M. Yamamoto, N. Yagi
Keywords: detector development, protein crystallography, CMOS detector
Poster Session: 27 Board: 3 Page in the Book of Abstracts: C145
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CMOS Flatpanel Detectors for SAXS/WAXS Experiments
Authors: N. Yagi, K. Inoue
Keywords: detector properties, synchrotron radiation, small angle scattering
Poster Session: 27 Board: 4 Page in the Book of Abstracts: C145
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1- and 2D Detectors and Sample Fluorescence in XRD.
Authors: M. Fransen
Keywords: X-ray detectors, X-ray powder diffraction techniques, experimental design
Poster Session: 27 Board: 5 Page in the Book of Abstracts: C146
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Use of a Single Crystal Diffractometer and CCD Area Detector for Phase Identification
Authors: C. Campana, M. Ruf, B. He, M. Lyubchenko, K. Smith, O. Meding
Keywords: powder diffraction, CCD detector, software
Poster Session: 27 Board: 6 Page in the Book of Abstracts: C146
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IP Slant-incidence Correction for Accurate Structure Factor Measurements
Authors: K. Tanaka, T. Yoshimi, N. Morita
Keywords: image plate, slant incidence, 4f electron density
Poster Session: 27 Board: 7 Page in the Book of Abstracts: C146
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01 Instrumentation and Experimental Techniques
11. Data Accuracy and Detectors

XPAD: a Pixel Detector for Material Sciences
Authors: N. Boudet, J.-F. Berar, J.-C. Clemens, P. Delpierre
Keywords: detector development, synchrotron radiation, materials
Poster Session: 27 Board: 8 Page in the Book of Abstracts: C146
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Metrological Assurance of the Substance and Materials Investigations by Diffraction Methods
Authors: B. N. Kodess, S. Kononogov
Keywords: materials metrology, data accuracy, standard references samples
Poster Session: 27 Board: 9 Page in the Book of Abstracts: C147
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The EU BIOXHIT Standard Test Crystal
Authors: I. Dix, M. Sevvana, G. Bunkóczi, J. Debreczeni, G. M. Sheldrick
Keywords: synchrotron structural biology research, diagnostics, test crystal
Poster Session: 27 Board: 10 Page in the Book of Abstracts: C147
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Strain Analysis Using High Energy X-ray White Beam Diffraction
Authors: A. Korsunsky, J. Liu, M. Golshan
Keywords: energy dispersive diffraction, high energy X-ray diffraction, titanium alloy
Poster Session: 27 Board: 11 Page in the Book of Abstracts: C147
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Improving Data Quality – without Having to Grow New Crystals
Authors: A. Coetzee, B. Schierbeek, G. Witte, T. Curth, D. J. Manstein, R. Fedorov
Keywords: data collection, protein crystallography, detectors
Poster Session: 27 Board: 12 Page in the Book of Abstracts: C147
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High Resolution Data Collection in the Home Lab
Authors: M. M. Benning, C. B. Bauer
Keywords: data collection, atomic, high resolution
Poster Session: 27 Board: 13 Page in the Book of Abstracts: C147
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04 Crystallography of Biological Macromolecules
2. Enzymes and Enzyme Catalysis

The Crystal Structure of Francisella tularensis AcpA
Authors: R. Felts, T. J. Reilly, J. J. Tanner
Keywords: Francisella tularensis, acid phosphatase, enzyme
Poster Session: 27 Board: 14 Page in the Book of Abstracts: C185
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Structures of A Novel N-acetyl-L-ornithine Transcarbamylase
Authors: D. Shi, X. Yu, L. Roth, H. Morizono, N. M. Allewell, M. Tuchman
Keywords: carbamoyltransferase, acetylornithine, arginine pathway
Poster Session: 27 Board: 15 Page in the Book of Abstracts: C190
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Crystal Structure of Spermidine Synthase from Helicobacter pylori
Authors: Y.-J. Sun, P.-K. Lu, S.-Y. Chien, J.-Y. Tsai, C.-T. Fong, M. J. Lee, H. Huang
Keywords: spermidine synthase, putrescine aminopropyltransferase, Helicobacter pylori
Poster Session: 27 Board: 16 Page in the Book of Abstracts: C190
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Helix-formation Due to the Binding of α- with β2-subunit of Tryptophan Synthase
Authors: K. Nishio, Y. Morimoto, M. Ishizuka, K. Ogasahara, K. Yutani, T. Tsukihara
Keywords: protein crystallography, biological structure-activity relationships, protein-protein interactions
Poster Session: 27 Board: 17 Page in the Book of Abstracts: C190
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Structure of Stationary Phase Survival Protein SurE from Thermus thermophilus
Authors: W. Iwasaki, K. Miki
Keywords: protein crystallography, phosphatases, protein assembly
Poster Session: 27 Board: 18 Page in the Book of Abstracts: C190
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Crystal structure of Mortierella vinacea α-galactosidase I
Authors: Z. Fujimoto, W. Kim, S. Kaneko, G.-G. Park, M. Momma, H. Kobayashi
Keywords: alpha galactosidase, glycoprotein, Mortierella vinacea
Poster Session: 27 Board: 19 Page in the Book of Abstracts: C191
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Structural Basis for Ca2+-induced Activation of Human PAD4
Authors: K. Arita, T. Shimizu, H. Hashimoto, M. Yamada, Y. Hidaka, M. Sato
Keywords: histone modification, citrulliantion, calcium binding
Poster Session: 27 Board: 20 Page in the Book of Abstracts: C191
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The Crystal Structure of a Novel Subtilisin-like Alkaline Serine Protease, KP-43
Authors: T. Nonaka, M. Fujihashi, A. Kita, K. Saeki, S. Ito, K. Horikoshi, K. Miki
Keywords: alkaline serine protease, subtilisin, oxidative stability
Poster Session: 27 Board: 21 Page in the Book of Abstracts: C191
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Crystal Structure of Atypical Cytoplasmic ABC-ATPase SufC
Authors: S. Watanabe, A. Kita, K. Miki
Keywords: ABC ATPase, structural biology, Suf protein
Poster Session: 27 Board: 22 Page in the Book of Abstracts: C191
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Comparisons of the Structures of Isolated Proteolytic Domains of Lon Proteases
Authors: A. Gustchina
Keywords: Lon proteases, active site, structure comparison
Poster Session: 27 Board: 23 Page in the Book of Abstracts: C192
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Structures and Function Studies of Microbial P-loop-containing Phosphatases
Authors: H.-M. Chu
Keywords: dual specificity phosphatase, phytase, myoinositol polyphosphates
Poster Session: 27 Board: 24 Page in the Book of Abstracts: C192
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Structure of a Two-domain Chitinase from Streptomyces griseus
Authors: Y. Kezuka, Y. Itoh, J. Watanabe, T. Watanabe, T. Nonaka
Keywords: chitinase, whole structure, conformational flexibility
Poster Session: 27 Board: 25 Page in the Book of Abstracts: C192
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Structure-based Functional Analysis of Prenyltransferases: Trans-type OPPs from T. maritima and Cis-type UPPs from E. coli
Authors: R.-T. Guo, T.-P. Ko, P.-H. Liang, A. H.-J. Wang
Keywords: prenyltransferase, crystal structure, metal ion
Poster Session: 27 Board: 26 Page in the Book of Abstracts: C192
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Crystal Structure of Human HMG-CoA Lyase
Authors: Z. Fu, J. A. Runquist, H. M. Miziorko, J.-J. P. Kim
Keywords: HMG-CoA lyase structure, fatty acid metabolism, ketogenesis
Poster Session: 27 Board: 27 Page in the Book of Abstracts: C193
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Structural Analysis of Thr342 Mutants of Soybean β-Amylase: The Role of Conformational Changes of Two Loops in the Catalytic Mechanism
Authors: B. Mikami, Y.-N. Kang, A. Tanabe, M. Adachi
Keywords: amylases, mutations, enzymatic reaction mechanisim
Poster Session: 27 Board: 28 Page in the Book of Abstracts: C193
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Crystal Structure of the Haloalkane Dehalogenase DbjA
Authors: Y. Sato, R. Natsume, Z. Prokop, M. Senda, J. Damborsky, Y. Nagata, M. Tsuda, T. Senda
Keywords: enantioselectivity, alpha beta hydrolase, haloalkane dehalogenase
Poster Session: 27 Board: 29 Page in the Book of Abstracts: C193
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Structure-Function Analysis of a Novel Mitochondrial Antioxidant Protein
Authors: Z. Cao, L. Gourlay, N. Isaacs, G. Lindsay
Keywords: peroxiredoxin, mitochondrial, oligomers
Poster Session: 27 Board: 30 Page in the Book of Abstracts: C193
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Structural Studies on Novel Streptococcal Virulence Factors
Authors: H. J. Kang, T. Proft, F. Clow, H. M. Baker, E. N. Baker
Keywords: bacterial toxin , X-ray crystallography, protein structure
Poster Session: 27 Board: 31 Page in the Book of Abstracts: C193
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Crystal Structure of L-phenylalanine Oxidase
Authors: K. Ida, M. Suguro, H. Suzuki
Keywords: flavoprotein, SAD, enzyme activity mechanism
Poster Session: 27 Board: 32 Page in the Book of Abstracts: C194
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Crystal Structure of a Biopolyester-hydrolyzing Enzyme PHA Depolymerase
Authors: T. Hisano, K. Kasuya, Y. Tezuka, T. Kobayashi, M. Shiraki, T. Iwata, Y. Doi, T. Saito, K. Miki
Keywords: biodegradable polymer, hydrolase, circular permutation
Poster Session: 27 Board: 33 Page in the Book of Abstracts: C194
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Crystal Structure of PcyA-biliverdin IXα complex
Authors: Y. Hagiwara, M. Sugishima, Y. Takahashi, K. Fukuyama
Keywords: photosynthetic proteins, redox enzyme, substrate binding
Poster Session: 27 Board: 34 Page in the Book of Abstracts: C194
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Structural Studies of Rat Calucineurin B Homologous Protein 1
Authors: Y. Naoe, K. Arita, H. Hashimoto, H. Kanazawa, M. Sato, T. Shimizu
Keywords: calcium binding protein, EF-hand proteins, protein crystallization
Poster Session: 27 Board: 35 Page in the Book of Abstracts: C194
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Structure of γ-glutamylcysteine Synthetase Complexed with Buthionine Sulfoximine
Authors: H. Nii, T. Hibi, M. Nakayama, J. Oda
Keywords: buthionine sulfoximine, drug design, glutathione
Poster Session: 27 Board: 36 Page in the Book of Abstracts: C195
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γ-glutamylcysteine Synthetase: Peptide Formation Coupling with ATP Hydrolysis
Authors: T. Hibi, M. Nakayama, H. Nii, J. I. Oda
Keywords: glutathione, transition state analog, coupling reaction
Poster Session: 27 Board: 37 Page in the Book of Abstracts: C195
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Structures of Mnk-2 Reveal Novel Aspects of Kinase Regulation
Authors: R. Jauch, S. Jäkel, C. Netter, K. Schreiter, B. Aicher, H. Jäckle, M. Wahl
Keywords: protein kinases, drug design, enzyme regulation
Poster Session: 27 Board: 38 Page in the Book of Abstracts: C195
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Tracking X-ray Derived Redox Changes Using Single Crystal Microspectrophotometry
Authors: A. Pearson, T. Dela Mora Rey, K. T. Watts, E. Hoeffner, C. M. Wilmot
Keywords: radiation damage, single crystal X-ray diffraction, quinoproteins
Poster Session: 27 Board: 39 Page in the Book of Abstracts: C195
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Crystal Structures of Two Domains of Bifunctional Enzyme: Human PAPS Synthetase
Authors: N. Sekulic, K. Dietrich, I. Paarmann, M. Konrad, A. Lavie
Keywords: PAPS synthetase, APS kinase, ATP sulfurylase
Poster Session: 27 Board: 40 Page in the Book of Abstracts: C195
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Structures of Arg-181 Mutant and Wild Type of L-lactate Oxidase from A. viridans
Authors: Y. Umena, K. Yorita, T. Matsuoka, M. Abe, A. Kita, K. Fukui, T. Tukihara, Y. Morimoto
Keywords: protein crystallography, flavoprotein, structure activity relationship
Poster Session: 27 Board: 41 Page in the Book of Abstracts: C196
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Structure of Small GTPase Human Rheb Provides a Structural Basis for its Unique Biological Function and Reveals a Novel GTP Hydrolysis Mechanism
Authors: J. Ding, Y. Yu, S. Li, X. Xu
Keywords: small GTPase, Rheb, mTOR signaling
Poster Session: 27 Board: 42 Page in the Book of Abstracts: C196
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Crystal Structure of Alkyl Hydroperoxide-reductase (AhpC) from Helicobacter pylori
Authors: E. Papinutto, H. Windle, R. Battistutta, D. Kelleher, G. Zanotti
Keywords: alkyl hydroperoxide-reductase, peroxiredoxin, oxidized decamer
Poster Session: 27 Board: 43 Page in the Book of Abstracts: C196
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A Representation of a Possible Intermediate Step during Substrate Recognition of HIV-1 Protease: Crystal Structures of Substrate Bound Enzyme Exhibiting a Novel Flap Conformation.
Authors: M. Prabu-Jeyabalan, E. A. Nalivaika, C. A. Schiffer
Keywords: HIV, substrate recognition, enzyme
Poster Session: 27 Board: 44 Page in the Book of Abstracts: C196
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Detecting the Structural Determinants of Glycosyl Hydrolase Family 11 Xylanase Inhibition
Authors: C. De Ranter, S. Sansen, K. Gebruers, K. Brijs, C. M. Courtin, J. A. Delcour, A. Rabijns
Keywords: protein inhibitor binding, glycosyl hydrolases, plant biotechnology
Poster Session: 27 Board: 45 Page in the Book of Abstracts: C197
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The Mechanism of T. cruzi FPPS Involves a Substrate Induced Conformational Change
Authors: S. B. Gabelli, J. S. Mc Lellan, A. Montalvetti, E. Oldfield, R. Docampo, L. M. Amzel
Keywords: enzyme mechanism, inhibitor design, farnesyl diphosphate synthase
Poster Session: 27 Board: 46 Page in the Book of Abstracts: C197
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Crystallographic Analysis Identifies a Novel Enzymatic Reaction
Authors: M. Fujihashi, A. M. Bello, L. P. Kotra, E. F. Pai
Keywords: enzyme catalysis, enzyme structure function, biological macromolecules
Poster Session: 27 Board: 47 Page in the Book of Abstracts: C197
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Structural Basis for the Methylation Mechanism in Methyl-transferase BchU Involved in Bacteriochlorophyll c Biosynthesis
Authors: K. Fukuyama, K. Wada, H. Yamaguchi, J. Harada, H. Oh-oka, H. Tamiaki
Keywords: methylases, enzymatic reaction mechanisms, substrate binding
Poster Session: 27 Board: 48 Page in the Book of Abstracts: C197
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Crystal Structure of hMTH1 in Complex with its Reaction Product, 8-oxo-dGMP
Authors: T. Nakamura, Y. Kitaguchi, M. Miyazawa, S. Toma, S. Ikemizu, M. Shirakawa, Y. Nakabeppu, Y. Yamagata
Keywords: DNA repair, substrate specificity, hydrolysis
Poster Session: 27 Board: 49 Page in the Book of Abstracts: C198
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The Crystal Structure of L-proline Dehydrogenase in a Hyperthermophilic Archaeon
Authors: H. Tsuge, R. Kawakami, H. Sakuraba, K. Aki, N. Katunuma, T. Ohshima
Keywords: dehydrogenase, flavins, complex structure
Poster Session: 27 Board: 50 Page in the Book of Abstracts: C198
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Double Substrate Recognition of Acetylornithine Aminotransferase
Authors: I. Miyahara, M. Matsumura, M. Goto, R. Omi, K. Hirotsu, H. Mizuguchi, H. Hayashi, H. Kagamiyama
Keywords: X-ray crystallography of biological macromolecules, substrate binding, aminotransferases
Poster Session: 27 Board: 51 Page in the Book of Abstracts: C198
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Detection of the Conformational Changes of FAD during the Catalysis
Authors: M. Senda, S. Kishigami, S. Kimura, M. Fukuda, T. Senda
Keywords: flavoprotein, reactive intermediate, conformational change
Poster Session: 27 Board: 52 Page in the Book of Abstracts: C198
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Crystal Structure of Biphenyl Dioxygenase
Authors: T. Senda, Y. Furusawa, V. Nagarajan, M. Tanokura, M. Fukuda
Keywords: oxygenase, substrate binding, conformational change
Poster Session: 27 Board: 53 Page in the Book of Abstracts: C198
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The Structure of Yersinia pestis Dehydroquinase
Authors: A. M. Silva, S. B. Gabelli, W. Cao, E. Afonina, J. W. Erickson, S. V. Gulnik
Keywords: Shikimate pathway, type 2 dehydroquinase, Yersinia pestis
Poster Session: 27 Board: 54 Page in the Book of Abstracts: C205
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04 Crystallography of Biological Macromolecules
3. Metallo-Enzymes

Structure of the 2[4Fe-4S] Ferredoxin from Pseudomonas aeruginosa at 1.32 Å Resolution
Authors: I. M. Mavridis, P. Giastas, N. Pinotsis, G. Efthymiou, M. Wilmanns, P. Kyritsis, J. Moulis
Keywords: ferredoxin, metalloprotein, Pseudomonas aeruginosa
Poster Session: 27 Board: 55 Page in the Book of Abstracts: C211
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04 Crystallography of Biological Macromolecules
7. Protein - RNA Interactions

Crystal Structure of Sulfolobus tokodaii Aspartyl-tRNA Synthetase
Authors: Y. Maeda, Y. Sato, M. T. Hossain, S. Ubutaka, K. Suzuki, T. Sekiguchi, A. Takenaka
Keywords: aspartyl tRNA synthetase, Sulfolobus tokodaii, X-ray crystal structure
Poster Session: 27 Board: 56 Page in the Book of Abstracts: C225
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04 Crystallography of Biological Macromolecules
13. Viruses and Viral Proteins

Structural Differences Between B and F Subtypes of HIV PR
Authors: S. Mario, A. Wlodawer, A. Gustchina, I. Polikarpov
Keywords: HIV retroviral proteases, structural and biological function, biological macromolecules
Poster Session: 27 Board: 57 Page in the Book of Abstracts: C235
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X-ray Crystallographic Structure of Virus like Particle from Hyperthermophilic Archaea Pyrococcus furiosus
Authors: F. Akita, C. K. Tee, H. Tanaka, N. Miyazaki, K. Nanba, Y. Nakaishi, Y. Ono, E. Yamashita, M. Suzuki, T. Tsukihara, A. Nakagawa
Keywords: Pyrococcus furiosus, virus like particle, HK97
Poster Session: 27 Board: 58 Page in the Book of Abstracts: C235
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Structures of SARS Coronavirus Main Protease Bound by an Aza-peptide Epoxide
Authors: T.-W. Lee, M. M. Cherney, C. Huitema, J. Liu, L. D. Eltis, K. E. James, J. C. Powers, M. N. G. James
Keywords: SARS, viral proteins, protease inhibitors
Poster Session: 27 Board: 59 Page in the Book of Abstracts: C235
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EED, a Cellular Partner of the Viral Proteins MA, IN and Nef from HIV-1
Authors: S. Violot, P. Gouet, P. Boulanger, R. Haser
Keywords: HIV, crystal structure, human protein
Poster Session: 27 Board: 60 Page in the Book of Abstracts: C236
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Kinetic and Crystallographic Analyses of SARS Coronavirus 3CLpro Inhibitors
Authors: K. Ratia, B. Santarsiero, K. Xi, D. Jukneliene, B. Harcourt, S. Baker, A. Ghosh, A. Mesecar
Keywords: SARS, proteases, viral proteins
Poster Session: 27 Board: 61 Page in the Book of Abstracts: C236
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Crystallization of Recombinant HIV-1 Nef
Authors: R. Jokiaho, N. Síren, L. Lehtikari, N. von Weymarn
Keywords: HIV, protein crystallization, protein structure
Poster Session: 27 Board: 62 Page in the Book of Abstracts: C236
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Structural and Immunological Characterization of the Fusion Core of the SARS-coronavirus Spike Protein
Authors: C.-H. Hsu, T.-P. Ko, H.-M. Yu, T.-K. Tang, S.-T. Chen, A. H.-J. Wang
Keywords: SARS, spike, X-ray crystallography
Poster Session: 27 Board: 63 Page in the Book of Abstracts: C236
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Structural Study of Hepatitis B Virus Capsid Polymorphism and Stabilization
Authors: C. Bourne, A. Zlotnick
Keywords: capsids, virus crystallography, polymorphism
Poster Session: 27 Board: 64 Page in the Book of Abstracts: C237
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04 Crystallography of Biological Macromolecules
18. Organelles

Cracking of the Targeting Signal Embedded in Mitochondrial Presequences
Authors: M. Igura, T. Obita, T. Osea: Toshiya, E. Katsumi, M. Daisuke
Keywords: protein transport, molecular recognition, crystallographic and NMR solution structures
Poster Session: 27 Board: 65 Page in the Book of Abstracts: C252
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04 Crystallography of Biological Macromolecules
26. No sub-theme

Advanced High-Throughput Platforms for Protein Crystallography
Authors: U. Honisch, N. Gottschlich
Keywords: high throughput crystallography, polarized light microscopy, microfluidics
Poster Session: 27 Board: 208 Page in the Book of Abstracts: C266
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08 Structure/Property Relationship
13. Hydrogen Bonding Studies

From Carboxylic Precursors to Thioxanthones: Interplay of Hydrogen Bonds, BrNitro, SCarbonyl and ππ Stacking Interactions
Authors: M. T. Duarte, M. F. M. Piedade, C. Jacob, M. P. Robalo, M. H. Garcia
Keywords: hydrogen bond patterns, helical molecules, supramolecular assemblies
Poster Session: 27 Board: 66 Page in the Book of Abstracts: C340
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08 Structure/Property Relationship
14. Structure Property Relationship

Structure Peculiarities of Polydisperse TiO2 Particles with Metal-modified Surface
Authors: T. Bezrodna, G. Puchkovska, V. Shymanovska, A. Hauser
Keywords: structural characterization, AFM, inorganic oxides
Poster Session: 27 Board: 67 Page in the Book of Abstracts: C340
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Structural Conditionality of Physical Properties in Nb or Sb Doped KTP Crystals
Authors: O. Alekseeva, N. Sorokina, I. Verin, V. Voronkova, V. Yanovskii
Keywords: structure-physical properties relationships, superionic conductivity, nonlinear optical materials
Poster Session: 27 Board: 68 Page in the Book of Abstracts: C341
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Lanthanides Stereochemistry in the Structure of Oxygen containing Compounds
Authors: A. V. Vologzhanina, D. V. Pushkin
Keywords: lanthanides, computational analysis of crystallographic data, Voronoi-Dirichlet polyhedron
Poster Session: 27 Board: 69 Page in the Book of Abstracts: C341
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Counteranion Effect on Macrocyclic Complex Materials
Authors: D. Venegas-Yazigi, V. Paredes, R. Baggio, O. Peña, E. Spodine
Keywords: copper, macrocycles, magnetic material
Poster Session: 27 Board: 70 Page in the Book of Abstracts: C341
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Hybrid Organo-inorganic Materials of the VPO System
Authors: E. Spodine, S. Ushak, J.-Y. Pivan, E. Le Fur, O. Peña
Keywords: magnetic material, copper, VPO system
Poster Session: 27 Board: 71 Page in the Book of Abstracts: C341
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Partial Phase Diagram of Pd-Mn System Studied by Electron Diffraction and Microscopy
Authors: R. Miida
Keywords: electron diffraction, ordered structures, phase diagram
Poster Session: 27 Board: 72 Page in the Book of Abstracts: C342
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Crystal Structure of β-KU2(PO4)3 – a Member of the Group With NZP Structure Type
Authors: E. Gobechiya, Y. Kabalov, S. Tomilin, A. Lukinikh, A. Lizin
Keywords: phosphates, X-ray diffraction, Rietveld method
Poster Session: 27 Board: 73 Page in the Book of Abstracts: C342
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Transition Metal Hydroxy-Terephthalates: Structure-Magnetism Relationship
Authors: A. Carton, M. François, P. Rabu
Keywords: lamellar hybrid compound, transition metal, structure-properties relationships
Poster Session: 27 Board: 74 Page in the Book of Abstracts: C342
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Structures of New Molecular Conductors Based on Functionalized Organic Donors
Authors: L. Zorina, R. Shibaeva, S. Khasanov, S. Simonov, L. Kushch, E. Yagubskii, C. Meziere, S. Baudron, P. Batail, E. Canadell
Keywords: X-ray analysis, organic conductors, layered structure
Poster Session: 27 Board: 75 Page in the Book of Abstracts: C342
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Family of Organic Layered Salts Based on BEDT-TTF with the [OsNOCl5]2- Anion
Authors: S. Simonov, I. Shevyakova, L. Zorina, S. Khasanov, L. Buravov, V. Emel’yanov, E. Canadell, R. Shibaeva, E. Yagubskii
Keywords: crystallographic analysis, low-dimensional conductors, organic molecular crystal structures
Poster Session: 27 Board: 76 Page in the Book of Abstracts: C343
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Factors Determining Polymorphism of Leflunomide
Authors: D. Fernandez, D. Vega, J. A. Ellena
Keywords: leflunomide , polymorphism , crystal structure
Poster Session: 27 Board: 77 Page in the Book of Abstracts: C343
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New Electroconducting Radical Anion Salts Based on TCNQ with Organic Cations
Authors: O. Kazheva, V. Starodub, G. Shilov, O. Dyachenko
Keywords: structure-properties relationships, TCNQ compounds, X-ray crystal structure analysis
Poster Session: 27 Board: 78 Page in the Book of Abstracts: C343
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Haem-binding Properties and Crystallisation of the Bacterial Protein HemS
Authors: S. Schneider, M. Paoli
Keywords: haem proteins, ligand transport, crystallography
Poster Session: 27 Board: 79 Page in the Book of Abstracts: C343
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The Bond Valence Model and Point Defects in Langasite Family
Authors: E. Tyunina, G. Kuz’micheva
Keywords: langasite, point defects, bond valence method
Poster Session: 27 Board: 80 Page in the Book of Abstracts: C344
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Synthesis, Structure and Photocatalysis in LiBi4Ta3O14 and LiBi4Nb3O14
Authors: B. Muktha, H. Priya, M. Giridhar, T. N. Guru Row
Keywords: crystal structures, photocatalysis, dyes
Poster Session: 27 Board: 81 Page in the Book of Abstracts: C344
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Peculiarities of the Electronic Structure and Dynamics in the Nanosystems
Authors: N. Van Tri
Keywords: structure and dynamics in nanosystems, electron dynamics in nanostructures, electron dynamics in nanosystems
Poster Session: 27 Board: 82 Page in the Book of Abstracts: C344
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High-temperature Structural Disorder in á-Quartz-Type Piezoelectric Materials
Authors: J. Haines, O. Cambon, D. A. Keen
Keywords: structure-property relationships, quartz, high-temperature structures
Poster Session: 27 Board: 83 Page in the Book of Abstracts: C344
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Unusual Structural Properties of (Na,Gd,Yb)WO4 and (Na,La,Ce,Er)MoO4
Authors: G. Kuz'micheva, V. Rybakov, E. Zharikov, D. Lis
Keywords: sheelite, structure, properties
Poster Session: 27 Board: 84 Page in the Book of Abstracts: C344
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Lattice Parameters Measurements of YBa2Cu3O7-δ Superconductors Prepared under Various Forming Pressures using X-ray Diffraction Technique
Authors: H. Homeida
Keywords: superconductors, lattice, parameters
Poster Session: 27 Board: 85 Page in the Book of Abstracts: C345
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On a New Wave Type Generated in Deforming Metal Crystals
Authors: S. A. Barannikova, L. B. Zuev
Keywords: plasticity, wavelength, entropy
Poster Session: 27 Board: 86 Page in the Book of Abstracts: C345
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Structure and Magnetic Properties of 3-substituted-5-(2-pyridyl) Pyrazole Metal(II) Complexes
Authors: L.-C. Wu, G.-H. Lee, Y. Chi, C.-C. Wang, Y. Wang
Keywords: structure-magnetism relationships, spin crossover, magnetism
Poster Session: 27 Board: 87 Page in the Book of Abstracts: C345
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X-ray Absorption Studies of Fe-btr Spin Crossover Complexes
Authors: Y.-C. Lin, S. Pillet, I-J. Hsu, Y. Wang
Keywords: spin-crossover, X-ray absorption, Fe(II)
Poster Session: 27 Board: 88 Page in the Book of Abstracts: C345
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Change of Structure and Properties of System WC-Ti at Mechanical Activation
Authors: V. Ilyasov, A. Ryzhkin, T. Grigorieva, N. Lyakhov, S. Tsybulya
Keywords: structure-physical properties relationships, tungsten compounds, X-ray powder diffractometry
Poster Session: 27 Board: 89 Page in the Book of Abstracts: C345
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Search for Polarons in Li1-5xNb1-4xO3-y. Structural Investigation of the Defect Structure in Thermally Reduced Single Crystals
Authors: J. Schefer, D. Schaniel, T. Woike, M. Wöhlecke, M. Imlauf
Keywords: optical materials, neutron diffraction, polarons
Poster Session: 27 Board: 90 Page in the Book of Abstracts: C346
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Structural Origin of the Low Superconducting Anisotropy of Bi,Pb-2212 Crystals
Authors: R. E. Gladyshevskii, N. Musolino, R. Flükiger
Keywords: high-Tc superconductor, modulated structure, structure-property relationship
Poster Session: 27 Board: 91 Page in the Book of Abstracts: C346
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Structure Investigation of Pure and Cr Doped Li3VO4
Authors: D. Capsoni, V. Massarotti, M. Bini, P. Mustarelli, C. B. Azzoni, P. Galinetto, M. C. Mozzati, G. Chiodelli
Keywords: ionic materials, vanadium compounds, occupancy
Poster Session: 27 Board: 92 Page in the Book of Abstracts: C346
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Structures of C. perfringens α-toxin mutant, T74I, that Affects its Activity
Authors: S. Vachieri, G. Clarke, D. S. Moss, R. W. Titball, A. Basak
Keywords: bacterial toxins, crystal structures, site-directed mutant
Poster Session: 27 Board: 93 Page in the Book of Abstracts: C346
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An Improved Method for Calculating Ligand Solid Angles
Authors: I. A. Guzei
Keywords: solid angle, organometallic complexes, ligands
Poster Session: 27 Board: 94 Page in the Book of Abstracts: C347
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The Perpendicular Magnetic Anisotropy Effect and the Directional Structure Ordering of CrPt3 the Epitaxial Films
Authors: C.-H. Lee, M.-Z. Lin, Y.-H. Huang, K.-L. Yu, J. C. A. Huang, G. W. Chen
Keywords: ordering, magnetic properties, CrPt alloy
Poster Session: 27 Board: 95 Page in the Book of Abstracts: C347
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Distribution of Sr Ions in Tungstenbronze-type-like (Ba1-áSrá)6-3xR8+2xTi18O54 (R = Sm, Nd) Solid Solutions
Authors: M. Suzuki, H. Ohsato
Keywords: tungsten bronze, microwave absorption material, structure-properties relationship in solids
Poster Session: 27 Board: 96 Page in the Book of Abstracts: C347
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Structural Investigation of Cyclamic Acid and Related Cyclamates
Authors: I. Leban, D. Rudan-Tasic, C. Klofutar
Keywords: X-ray structure, artificial sweetener, cyclamates
Poster Session: 27 Board: 97 Page in the Book of Abstracts: C347
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Structure and Microwave Dielectric Properties on ALa4Ti4O15 (A = Ba, Sr and Ca)
Authors: H. Ohsato, Y. Tohdo, K. Kakimoto
Keywords: microwave dielectrics, homologous compound, hexagonal layered perovskite
Poster Session: 27 Board: 98 Page in the Book of Abstracts: C347
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Extraordinary Negative Thermal Expansion in the Smallest Chiral Amino Acid, Alanine
Authors: H. N. Bordallo, D. N. Argyriou, J. Strempfer, M. Barthès, F. Dénoyer
Keywords: amino acids, chirality, structure and properties
Poster Session: 27 Board: 99 Page in the Book of Abstracts: C348
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Structure Evolution and Magnetoelectricity in BaO-TiO-FeO-CoO system at R.T.
Authors: S. Mazumder, G. S. Bhattacharya
Keywords: X-ray structural crystallography, magnetoelectric property, composite inorganic phases
Poster Session: 27 Board: 100 Page in the Book of Abstracts: C348
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Negative Refraction: an Intrinsic Property of Uniaxial Crystals
Authors: X. Chen, M. He, Y. Du, W. Wang, D. Zhang
Keywords: crystal structure properties, optical crystallography, refractive index
Poster Session: 27 Board: 101 Page in the Book of Abstracts: C348
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Unravelling the Mechanism of the Bathochromic Shift in the Lobster Carapace
Authors: M. Helliwell, G. Bartalucci, J. Coppin, G. Hall, J. R. Helliwell, S. L. Jensen
Keywords: lobster, colour, carotenoids
Poster Session: 27 Board: 102 Page in the Book of Abstracts: C348
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Crystal Structure of Hematopoietic Prostaglandin D Synthase Complexed of HQL-79
Authors: Y. Kado, T. Inoue, K. Aritake, N. Katsuyama, H. Matsumura, Y. Urade, Y. Kai
Keywords: prostaglandins, anti-inflammatory compounds, X-ray structure analysis
Poster Session: 27 Board: 103 Page in the Book of Abstracts: C348
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Polymorphism and Photochromism of Salicylideneaniline
Authors: F. Arod, M. Gardon, P. Pattison, G. Chapuis
Keywords: photochromism, polymorphic structures, properties and structure relationships
Poster Session: 27 Board: 104 Page in the Book of Abstracts: C349
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Structure, Chemical Bonding and Thermoelectric Performance of Zn4Sb3
Authors: F. Cargnoni, L. Bertini, C. Gatti
Keywords: XRD, ab-initio computations, thermoelectricity
Poster Session: 27 Board: 105 Page in the Book of Abstracts: C349
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Synthetic Chrysotile: Effect of Foreign Ions on the Hydrothermal Synthesis
Authors: I. G. Lesci, S. Ferrari, E. Foresti, G. Fracasso, M. Leoni, N. Roveri
Keywords: nanotubes, chrysotile, hydrothermal synthesis
Poster Session: 27 Board: 106 Page in the Book of Abstracts: C349
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Structural Comparisons of Three Intermetallic Antimonide Families
Authors: E. L. Thomas, M. Moldovan, D. P. Young, J. Y. Chan
Keywords: rare-earth, antimonides, single crystal
Poster Session: 27 Board: 107 Page in the Book of Abstracts: C349
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The Crystal Growth and Structure and Property Relationships of Pr-Ni-Ga Phases
Authors: J. N. Millican, D. P. Young, M. Moldovan, J. Y. Chan
Keywords: Pr-Ni-Ga phases, structural features, physical properties
Poster Session: 27 Board: 108 Page in the Book of Abstracts: C350
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Structural Basis for the Diverse DNA Sequence Recognition by C/EBPβ Homodimer
Authors: M. Shiina, S. Takata, K. Hamada, K. Ogata
Keywords: protein-DNA recognition, transcription factor, DNA- gprotein complexes
Poster Session: 27 Board: 109 Page in the Book of Abstracts: C350
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Ab-initio Modeling of Electronic Transport Properties: A Structural Informer
Authors: S. Cenedese, B. Luca, C. Gatti
Keywords: ab-initio calculations, crystal structure, electronic transport properties
Poster Session: 27 Board: 110 Page in the Book of Abstracts: C350
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Crystal Structures and Physical Properties of Flurbiprofen Salts
Authors: C. H. Schwalbe, S. J. Teat, S. E. David, W. J. Irwin, B. R. Conway, P. Timmins
Keywords: solubility, thermal expansion, synchrotron radiation
Poster Session: 27 Board: 111 Page in the Book of Abstracts: C350
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The Role of Cation on the Crystal Packing of the Molecular Conductors Based on Ni(dcdmp)2
Authors: I. C. Santos, D. Belo, E. Branco Lopes, M. Teresa Duarte, M. Almeida
Keywords: molecular compounds, intermolecular interactions, conductors
Poster Session: 27 Board: 112 Page in the Book of Abstracts: C351
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Structure and Emission Properties of Erbium Quinolinolate Complexes
Authors: F. Artizzu, P. Deplano, L. Marchiò, M. L. Mercuri, L. Pilia, A. Serpe, F. Quochi, R. Orrù, A. Mura, G. Bongiovanni
Keywords: luminescent compound, structure, lanthanides
Poster Session: 27 Board: 113 Page in the Book of Abstracts: C351
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10 Inorganic Crystallography and Geosciences
5. Minerals: Characterisation Methods and Structures

Research of Nanostructurized X-ray Amorphous Minerals by AFM
Authors: Y. A. Golubev
Keywords: AFM-STM studies of minerals and glasses, amorphous materials characterization, nanostructures
Poster Session: 27 Board: 114 Page in the Book of Abstracts: C375
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Distinct Local Environments for Ca in Pyrope-Grossular Garnets: A New Model based on XRD and EXAFS Studies
Authors: M. C. Dalconi, R. Oberti, S. Quartieri, F. Boscherini, G. Iezzi, M. Boiocchi
Keywords: EXAFS, XRD, garnet solid solutions
Poster Session: 27 Board: 115 Page in the Book of Abstracts: C376
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Analysis of Microporous Crystal Structures with Voronoi-Dirichlet Polyhedra
Authors: O. A. Blatova, V. A. Blatov, G. D. Ilyushin, L. N. Dem'yanets
Keywords: Voronoi-Dirichlet polyhedron, pore, ionic conductor
Poster Session: 27 Board: 116 Page in the Book of Abstracts: C376
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Langasite Crystals: Growth, Composition and Physical Properties
Authors: E. Domoroshchina, A. Dubovskiy, G. Kuz'micheva, G. Semenkovich
Keywords: langasite crystals , structure, electric properties
Poster Session: 27 Board: 117 Page in the Book of Abstracts: C376
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Ponomarevite, K4Cu4OCl10, a Naturally Occurring Mineral with a [Cu4O] Core – Ancestor of Many Synthetic Cluster Compounds
Authors: H. Boller, R. Dilshad, K. Klepp
Keywords: mineral chemistry, copper, complexes
Poster Session: 27 Board: 118 Page in the Book of Abstracts: C376
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Resolving Structure and Size of Amorphous Mineral Precipitates by PDF Analysis
Authors: F. M. Michel, S. M. Antao, J. B. Parise, M. A. A. Schoonen
Keywords: pair distribution function, nanocrystals, particle size
Poster Session: 27 Board: 119 Page in the Book of Abstracts: C377
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Crystal Structures of Rb2(C2O4)·H2O and Tl2(C2O4): Application of Valence Matching Rule
Authors: T. Echigo, M. Kimata, A. Kyono
Keywords: oxalate mineral, bond -valence, hydrogen bonds
Poster Session: 27 Board: 120 Page in the Book of Abstracts: C377
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Structure and Composition Properties of Mica from Ilmen Reserve Granite Pegmatites
Authors: D. S. Sergeev, E. A. Goilo, J. Kasbohm
Keywords: X-ray, mica, granite pegmatites
Poster Session: 27 Board: 121 Page in the Book of Abstracts: C377
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XRD and HRTEM Structural Analyses of Antigorite Polysomes
Authors: G. Capitani, M. Mellini
Keywords: antigorite, structure, polysomatism
Poster Session: 27 Board: 122 Page in the Book of Abstracts: C377
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Two kinds of Superstructures of (Ge, Si) Wollastonite
Authors: F. Nishi, Y. Matsumoto, R. Miyawaki, Y. Kudoh
Keywords: structural analysis, superstructure, wollastonite
Poster Session: 27 Board: 123 Page in the Book of Abstracts: C378
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Light-Induced Degradation Dynamics in Realgar (As4S4)
Authors: A. Kyono, M. Kimata, T. Hatta
Keywords: single-crystal XRD, mineral physics, photochemistry
Poster Session: 27 Board: 124 Page in the Book of Abstracts: C378
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A Revision of the Structure and Crystal-Chemistry of the Arrojadite-Group
Authors: R. Oberti, F. Cámara, C. Chopin
Keywords: phosphate crystal-chemistry, mineralogy, crystal-structure
Poster Session: 27 Board: 125 Page in the Book of Abstracts: C378
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Supramolecular Arrangement of Tensioactive Molecules in Interlayer Spaces of Organophilic Clays
Authors: S. Geiger, H. Othmani, M. Benna-Zayani, B. Fraisse, M. Trabelsi-Ayadi, N. Kbir-Ariguib, J. L. Grossiord, N. E. Ghermani
Keywords: organomineral materials, powder X-ray diffraction, supramolecular assemblies
Poster Session: 27 Board: 126 Page in the Book of Abstracts: C378
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Ti-Investigation by XPS of Biotite from Metapelites of El Joyazo (Spain)
Authors: E. Mesto, F. Scordari, G. Cruciani
Keywords: Ti-bearing micas, XPS analysis, Ti speciation
Poster Session: 27 Board: 127 Page in the Book of Abstracts: C378
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Mg, Al, Si, Ca - Bearing Magnetite from Korshunovskoe, East Siberia
Authors: B. Lavina, A. Polozov, R. T. Downs
Keywords: magnetite, structural analysis, interstitial atoms
Poster Session: 27 Board: 128 Page in the Book of Abstracts: C379
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Analysis of Structure Factors of 2D-connected Crystal Structures
Authors: J. Rius, I. Peral, C. Miravitlles
Keywords: powder structure determination, complex compounds crystal structure, inorganic materials
Poster Session: 27 Board: 129 Page in the Book of Abstracts: C379
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The Spinels Unit Cell Parameter as Diamond Potentiality Indicator
Authors: R. I. Kassimova
Keywords: spinels, unit cell parameter, IR spectra absorbence maximum
Poster Session: 27 Board: 130 Page in the Book of Abstracts: C379
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Variations in the morphologies and magnetic properties of magnetite crystals in bacteria
Authors: M. Pósfai, I. Kósa, E. T. Simpson, R. K. K. Chong, T. Kasama, Z. Kristóf, R. E. Dunin-Borkowski
Keywords: biomineralization, magnetism, advanced electron microscopy
Poster Session: 27 Board: 131 Page in the Book of Abstracts: C379
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Crystal Structure of Non-Metamict Minerals of Chevkinite Group
Authors: F. Liziero, E. Belluso, S. Carbonin, L. Nodari, U. Russo
Keywords: silicates of rare elements, crystal chemistry and structure, TEM
Poster Session: 27 Board: 133 Page in the Book of Abstracts: C380
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11 Crystallography in Material Science
1. Superconducting and Semi-Conducting Materials

Structure/Properties Relationships in doped MgB2 Single Crystals
Authors: G. Schuck, M. Wörle, N. D. Zhigadlo, K. Rogacki, J. Karpinski
Keywords: high-Tc superconductivity, structure-physical properties relationships, X-ray crystal structure analysis
Poster Session: 27 Board: 134 Page in the Book of Abstracts: C385
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The Investigation of Crack Propagation in Cleavage Directions on the Surface of SiC by Sclerometry
Authors: A. Soshnikov, K. Gogolinsky, V. Blank
Keywords: scanning probe microscopy, hardness, structure defects
Poster Session: 27 Board: 135 Page in the Book of Abstracts: C385
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Superstructures of Pb-free and Pb-doped Bi2Sr2Ca2Cu3O10 Superconducting Phases
Authors: E. Giannini, R. Gladyshevskii, R. Cerny, R. Flükiger
Keywords: high-Tc superconductor, modulated structure, supercell
Poster Session: 27 Board: 136 Page in the Book of Abstracts: C385
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Presence of an ionic charge ordering at the Verwey transition in Fe3O4: a Resonant X-ray Diffraction Study
Authors: J. E. Lorenzo, E. Nazarenko, Y. Joly, J. L. Hodeau, D. Mannix, C. Marin
Keywords: charge transfer, iron oxides, DAFS
Poster Session: 27 Board: 137 Page in the Book of Abstracts: C385
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Crystal Chemistry and Crystallography of the Ba2RCu3O6+x - SrTiO3 System
Authors: W. Wong-Ng, Z. Yang, J. Kudak, Q. Huang, L. Cook
Keywords: superconductor-substrate interaction, Ba2RCu3O6+x - SrTiO3, coated conductors
Poster Session: 27 Board: 138 Page in the Book of Abstracts: C385
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New Molecular Conductors based on [Ni(dmid)2] with TMTTF, TTF and ET as Cations
Authors: O. Dyachenko, V. Starodub, G. Alexandrov, T. Zinenko, A. Kravchenko, A. Khotkevich, O. Kazheva
Keywords: organic semiconductors, structure- properties relationships, X-ray analysis
Poster Session: 27 Board: 139 Page in the Book of Abstracts: C386
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Novel Style of Structure Determination for π-d System by Synchrotron X-ray Diffraction
Authors: R. Tazaki, H. Sagayama, Y. Wakabayashi, H. Sawa, R. Kato
Keywords: CDW, synchrotron X-ray radiation, structure analysis
Poster Session: 27 Board: 140 Page in the Book of Abstracts: C386
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Twin Formation in InP Nanowires Epitaxially Grown on Germanium and Silicon
Authors: H. Wondergem, E. Bakkers, R. Balkenende, M. Verheijen
Keywords: twinning, iii-v semiconductors, nanowires
Poster Session: 27 Board: 141 Page in the Book of Abstracts: C386
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Low Temperature Structural Investigations of the J1-J2 Model System VOMoO4
Authors: F. Duc, S. Gonthier
Keywords: lattice anomalies, square lattice, frustration
Poster Session: 27 Board: 142 Page in the Book of Abstracts: C386
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Comparison and Analysis of the Samples with same Synthesis of Bi-Sr-Ca-Cu-O, Prepared by Different Ways of Heating
Authors: B. Papadopoulos, C. Stergiou, A. Stergiou
Keywords: superconductors, crystal structure, Rietveld analysis
Poster Session: 27 Board: 143 Page in the Book of Abstracts: C387
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Crystallographic Study of Superconducting Series Nd1+xBa2-xCu3Oy (x = 0.0,0.2,0.4,0.6), Prepared at 850ºC and 860ºC
Authors: C. Stergiou, G. Voutsas, A. Stergiou
Keywords: superconductors, crystal structure, Rietveld analysis
Poster Session: 27 Board: 144 Page in the Book of Abstracts: C387
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Crystallographic Study of Samples Produced from Mixtures La1+xBa2-xCu3Oy (x = 0.0, 0.2, 0.4, 0.6), Heated at 850ºC and 860ºC
Authors: S. Yilmaz, C. Stergiou, A. Stergiou
Keywords: superconductors, crystal structure, Rietveld analysis
Poster Session: 27 Board: 145 Page in the Book of Abstracts: C387
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11 Crystallography in Material Science
3. Giant Magneto Resistance Materials

Growth and Structural Investigations on Lead-doped NdMnO3 Single Crystals
Authors: H. L. Bhat, N. Ghosh, S. Elizabeth, G. Nalini, B. Muktha, T. N. Guru Row
Keywords: crystal growth, crystal structure, magnetic material
Poster Session: 27 Board: 146 Page in the Book of Abstracts: C387
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Atomic Image of Diluted Magnetic Semiconductor Zn1-xMnxTe Obtained by X-ray Fluorescence Holography
Authors: S. Hosokawa, N. Happo, K. Hayashi, T. Ozaki
Keywords: three dimensional image reconstruction, X-ray fluorescence spectroscopy, magnetic semiconductors
Poster Session: 27 Board: 147 Page in the Book of Abstracts: C387
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Investigation of LaMn2-xFexSi2 (0 ≤ x ≤ 1.2) by Magnetic Measurements and Neutron Diffraction
Authors: Y. Elerman, A. Elmali, I. Dincer, H. Ehrenberg, H. Fuess, A. Daoud-Aladine
Keywords: rare earth manganese silicides, layered structure, neutron diffraction
Poster Session: 27 Board: 148 Page in the Book of Abstracts: C388
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Structural Reasons for the Giant Oxygen Isotope Effect in Re0.5Sr0.5MnO3 Perovskites
Authors: A. Balagurov, I. Bobrikov, V. Pomjakushin, N. Babushkina, O. Gorbenko, A. Kaul
Keywords: manganites, neutron diffraction, isotope effect
Poster Session: 27 Board: 149 Page in the Book of Abstracts: C388
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11 Crystallography in Material Science
5. Non-crystalline Materials

X-ray Study of the Native Solid Hydrocarbons Transformation
Authors: O. Kovaleva, U. M. Korolev
Keywords: X-ray diffraction and structure, hydrocarbons, nanostructures
Poster Session: 27 Board: 150 Page in the Book of Abstracts: C388
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The Influence of Synthesis Conditions on the Packing of the Spherical Particles of Silica in a Supramolecular Structure
Authors: D. Kamashev
Keywords: amorphous materials, supramolecular crystals, spherical silica particles
Poster Session: 27 Board: 151 Page in the Book of Abstracts: C388
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Quantitative Analysis of Poorly Crystalline Fe2O3 Specimens
Authors: T. Grygar, P. Bezdicka, V. Simova, O. Schneeweiss, R. Zboril
Keywords: amorphous materials, nanocrystalline materials, iron oxides
Poster Session: 27 Board: 152 Page in the Book of Abstracts: C389
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Revisitation of the Structural Models for Ferrihydrites
Authors: G. Navarra, M. F. Casula, G. Pinna
Keywords: ferrihydrite, disordered materials, XRD
Poster Session: 27 Board: 153 Page in the Book of Abstracts: C389
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11 Crystallography in Material Science
6. Ceramics, Glasses and Amorphous Materials

Crystal Structure of New Lanthanide Diphosphates
Authors: F. Capitelli, B. El Bali, J. F. Piniella
Keywords: diphosphate, lanthanides, X-ray single crystal diffractometry
Poster Session: 27 Board: 154 Page in the Book of Abstracts: C389
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Roman Ceramics in the Transylvanian Basin (Romania)
Authors: I. N. Robu, L. Robu, A. Pescaru, G. Verdes, A. Ursoi
Keywords: caramics, mineralogy, properties
Poster Session: 27 Board: 155 Page in the Book of Abstracts: C389
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Cobalt Incorporation in Mullite
Authors: J. Popovic, B. Grzeta, E. Tkalcec, S. Kurajica
Keywords: Co-doped mullite, X-ray diffraction, fitting methods
Poster Session: 27 Board: 156 Page in the Book of Abstracts: C390
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Rietveld Refinement of Solid Solutions of La2TiO5 and La4Ga2O9
Authors: A. Meden, A. Golobi, S. D. Skapin, D. Suvorov
Keywords: solid solution, Rietveld refinement, ceramics
Poster Session: 27 Board: 157 Page in the Book of Abstracts: C390
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Comparative Study between Synthesized Zn2-xCoxSiO4 and Cobalt-base Pigments
Authors: A. Thalal, H. Ahamdane, M. A. El Idrissi Raghni, F. Bensamka
Keywords: ceramics, pigment, cobalt compounds
Poster Session: 27 Board: 158 Page in the Book of Abstracts: C390
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Rietveld Analysis in Biological Apatite Composite Tissues
Authors: L. Bucio, I. A. Belío-Reyes, M. A. Peña-Rico
Keywords: Rietveld analysis, biological apatites, amorphous compounds
Poster Session: 27 Board: 159 Page in the Book of Abstracts: C390
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Structural Characterization ofF CdCO3-CdS by X-ray
Authors: J. Martínez, O. Portillo-Moreno, J. I. Rascón, T. Díaz, H. Juárez, E. Rosendo, G. Juárez, A. V. Elyukhin, R. Peña-Sierra
Keywords: semiconductors, diffraction, cadmium carbonate
Poster Session: 27 Board: 160 Page in the Book of Abstracts: C390
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11 Crystallography in Material Science
8. Polymers

Deformation Process of Polymer Spherulite Observed with Microbeam-SAXS and -WAXS
Authors: Y. Nozue, T. Sakurai, H. Hori, T. Kasahara, N. Yamaguchi, Y. Shinohara, Y. Amemiya
Keywords: microbeam , SAXS WAXS, SAXS polymer
Poster Session: 27 Board: 161 Page in the Book of Abstracts: C391
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11 Crystallography in Material Science
10. Nonlinear Optical and Electronic Materials

Growth and Properties of KTiOPO4 Single Crystals Doped with Er and Nd
Authors: E. Kharitonova, V. Voronkova, V. Yanovskii, V. Smirnov
Keywords: crystal growth, KTiOPO4, ferroelectric materials
Poster Session: 27 Board: 162 Page in the Book of Abstracts: C393
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Second-Order Nonlinear Optical Properties of Tetradentate Schiff base Complexes
Authors: A. Forni, J. Gradinaru, V. Druta, F. Tessore, S. Zecchin, S. Quici, N. Gerbeleu
Keywords: transition metal complexes, nonlinear optical properties, theoretical calculations
Poster Session: 27 Board: 163 Page in the Book of Abstracts: C393
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Temperature Depence of Refractive Indices in Selected Borates
Authors: R. Ochrombel, L. Bohaty, P. Becker
Keywords: non centrosymmetry borates, phase matching, nonlinear optics
Poster Session: 27 Board: 164 Page in the Book of Abstracts: C393
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Nonlinear Optical Properties of Lithium Sulfate Monohydrate, Li2SO4•H2O
Authors: L. Bayarjargal, L. Bohatý
Keywords: nonlinear optics, nonlinear optical materials, optical materials
Poster Session: 27 Board: 165 Page in the Book of Abstracts: C393
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Neutron Diffraction Study of 4-Nitroaniline at 100 K
Authors: C. G. Pozzi, A. Goeta, G. Punte, E. de Matos Gomes, M. Belsley, G. J. Mc Intyre
Keywords: molecular crystals, hydrogen bonding, nonlinear optical materials
Poster Session: 27 Board: 166 Page in the Book of Abstracts: C394
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Cation Distribution in Eu2+- and/or Eu3+-Containing Inorganic Compounds
Authors: S. Hara, S. Hara, M. Kakihana, M. Okube, K. Ohkubo, S. Sasaki
Keywords: cation distribution, structural inorganic chemistry, mixed-valence compounds
Poster Session: 27 Board: 167 Page in the Book of Abstracts: C394
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Synthesis and Characterization of Nanocrystalline Y3Al5O12 derived by a Sol-Gel Method
Authors: E. Borca, S. Georgescu, M. Bercu
Keywords: electronic photonic materials, X-ray powder diffraction, FTIR
Poster Session: 27 Board: 168 Page in the Book of Abstracts: C394
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Structural Study of Sn-doped In2O3
Authors: E. Tkalcec, B. Grzeta, C. Goebbert, J. Popovic, V. Ksenofontov, S. Reiman, C. Felser
Keywords: Sn doped In2O3, X-ray diffraction, Mössbauer spectroscopy
Poster Session: 27 Board: 169 Page in the Book of Abstracts: C394
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Electron Density in Ga doped RTP
Authors: J. C. M. Gustafsson, G. Svensson
Keywords: electron density, nonlinear optical materials, ferroelectric materials
Poster Session: 27 Board: 170 Page in the Book of Abstracts: C395
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Structural Changes of Sol-Gel derived Sn-doped In2O3 due to Annealing at 1000°C
Authors: B. Grzeta, E. Tkalcec, C. Goebbert, J. Popovic, V. Ksenofontov, S. Reiman, C. Felser
Keywords: Sn-doped In2O3, X-ray diffraction, Mössbauer spectroscopy
Poster Session: 27 Board: 171 Page in the Book of Abstracts: C395
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Push-Pull Mixed-Ligand d8-Metal Dithiolene Complexes
Authors: L. Pilia, P. Deplano, C. Faulmann, A. Ienco, C. Mealli, M. L. Mercuri, A. Serpe
Keywords: metal complex, NLO, DFT
Poster Session: 27 Board: 172 Page in the Book of Abstracts: C395
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11 Crystallography in Material Science
12. Ferroic and Ferroelectric Structures

Lattice Parameters of the PZT 90/10 Ceramic doped with La
Authors: P. Pacek, J. Skrzypek, K. Wokulska
Keywords: ferroelectrics, ceramic materials, powder X-ray diffraction
Poster Session: 27 Board: 173 Page in the Book of Abstracts: C398
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Structural Phase Transitions and Hydrogen Bonding in Rb3H(SO4)2
Authors: D. Swain, T. N. Guru Row
Keywords: phase transition, hydrogen bonding, coordination
Poster Session: 27 Board: 174 Page in the Book of Abstracts: C398
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Relaxor Ferroelectric Behaviour of Ba1-xAx(Ti0.7Zr0.3)O3 compositions (A=Ca,Sr)
Authors: K. Taïbi, A. Kerfah, A. Gueria-Laïdoudi, A. Simon, J. Ravez
Keywords: ferroelectric relaxors , lead free materials , disordered materials
Poster Session: 27 Board: 175 Page in the Book of Abstracts: C398
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Ferroelectric Phase Transition Mechanism in C5H6NBF4 by X-ray Crystal Analysis
Authors: H. Kasatani
Keywords: single-crystal X-ray analysis, ferroelectric phase transitions, pyridium tetrafluoborate C5H6NBF4
Poster Session: 27 Board: 176 Page in the Book of Abstracts: C398
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Magnetism, Ferroelectricity and Lattice modulation of RMn2O5
Authors: Y. Noda, H. Kimura, Y. Kamada, S. Kobayashi, K. Kohn, N. Ikeda, Y. Wakabayashi
Keywords: phase transition, ferroelectrics, magnetic ordering
Poster Session: 27 Board: 177 Page in the Book of Abstracts: C399
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Crystal Structure, Phase Transitions and Negative Thermal Expansion in the Relaxor Ferroelectric PZN
Authors: E. H. Kisi, J. Forrester
Keywords: ferroelectrics, phase transition, perovskites
Poster Session: 27 Board: 178 Page in the Book of Abstracts: C399
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Rochelle Salt - A Structural Reinvestigation with Improved Tools
Authors: F. Mo, J. Beukes, R. Mathiesen, K. Vu
Keywords: ferroelectrics, phase transition and structure, synchrotron radiation
Poster Session: 27 Board: 179 Page in the Book of Abstracts: C399
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Temperature-Composition Phase Diagram of PZN-PT Studied by High Resolution Neutron Powder Diffraction
Authors: J. S. Forrester, E. H. Kisi
Keywords: ferroelectrics, phase transition, perovskites
Poster Session: 27 Board: 180 Page in the Book of Abstracts: C399
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Local Symmetry in PbZrxTi1-xO3 Ceramics
Authors: R. Schierholz, R. Theissmann, H. Kungl, H. Fuess
Keywords: convergent beam electron diffraction, crystal symmetry, microdomains
Poster Session: 27 Board: 181 Page in the Book of Abstracts: C400
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Local Order in the PSN, PST and PSNT Ferroelectric Relaxors
Authors: A. Pietraszko, M. Pasciak, M. Wolcyrz
Keywords: local order, ferroelectric relaxors, diffuse scattering
Poster Session: 27 Board: 182 Page in the Book of Abstracts: C400
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In-situ Electric Field Synchrotron Diffraction of PbZr(x)Ti(1-x)O3 Microdomains
Authors: H. Fuess, K. A. Schoenau, L. Schmitt, M. Knapp, R. Theissmann, H. Kungl, H. Fuess
Keywords: high resolution X-ray diffraction, in situ electric field, ferroelectric microdomains
Poster Session: 27 Board: 183 Page in the Book of Abstracts: C400
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Analysis of the Crystalline Phases of PLZT doped with Nd, Ho, Er, Tm, Yb
Authors: Y. P. Mascarenhas, L. D. Santana, D. Garcia, M. M. Caraballo
Keywords: ferroelectric ity, PLZT, rare earth
Poster Session: 27 Board: 184 Page in the Book of Abstracts: C400
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11 Crystallography in Material Science
13. Battery and Fuel Cell Materials

In-situ Study of Residual Strain in Solid Oxide Fuel Cells
Authors: R. V. Martins, A. Hagen, V. Honkimaki, H. F. Poulsen, R. Feidenhans'l
Keywords: solid oxide fuel cell, residual stress measurement, in situ observation
Poster Session: 27 Board: 185 Page in the Book of Abstracts: C400
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A Crystallographic Examination of Dilithium Phthalocyanine
Authors: D. Grossie, W. A. Feld, L. Scanlon, G. Sandí, Z. Wawrzak
Keywords: battery materials, crystal structure determination, lithium batteries
Poster Session: 27 Board: 186 Page in the Book of Abstracts: C401
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Site Preference of Valence Ions in Fe1+xCo2-xO4 (0 ≤ x ≤1)
Authors: T. Ohno, N. Shimizu, K. Ohkubo, T. Hanashima, K. Yamawaki, S. Sasaki
Keywords: cation distribution, cobalt compounds, X-ray magnetic circular dichroism
Poster Session: 27 Board: 187 Page in the Book of Abstracts: C401
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Structures of Defect Perovskites Suitable for Li Ion Intercalation
Authors: S. Schmid
Keywords: defect perovskite, lithium intercalation, lithium battery
Poster Session: 27 Board: 188 Page in the Book of Abstracts: C401
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11 Crystallography in Material Science
14. Residual Stress Measurements

Residual Stress Distribution Near HA Coating Interface on Titanium Alloy Substrate
Authors: A. Carradò, V. Stanic, V. Ji, W. Seiler, J. Werckmann, S. Joulié
Keywords: TEM characterization, residual stress, X-ray diffraction
Poster Session: 27 Board: 189 Page in the Book of Abstracts: C401
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A New, Rapid 3D Tomographic Energy Dispersive Diffraction Imaging System for Materials Characterisation and Object Imaging (Rapid TEDDI)
Authors: K. Khor, R. Cernik
Keywords: synchrotron, materials, tomography
Poster Session: 27 Board: 190 Page in the Book of Abstracts: C402
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11 Crystallography in Material Science
15. Pore Framework Materials

Synthesis and Structural Characterization of Novel Metal-Organic Frameworks
Authors: H. Park, D. M. Moureau, J. B. Parise
Keywords: materials structure and characterization, porous materials, X-ray crystallography
Poster Session: 27 Board: 191 Page in the Book of Abstracts: C402
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Spin-Crossover and Nanoporosity: Magnetic, Structural and Guest-Exchange Studies
Authors: N. F. Sciortino, C. J. Kepert
Keywords: spin crossover, nanoporosity, in situ SCXRD
Poster Session: 27 Board: 192 Page in the Book of Abstracts: C402
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In situ Control of Guest Exchange in Single Crystal X-ray Diffraction
Authors: J. J. Bevitt, C. Kepert
Keywords: guest exchange, in-situ experiments, gas absorption
Poster Session: 27 Board: 193 Page in the Book of Abstracts: C402
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Two new Inorganic-organic Hybrids with Framework Gallium 1,2-ethylenediphosphonates Containing Pyridine
Authors: Z. Yuan, W. Clegg, M. Attfield
Keywords: gallium 1,2ethylenediphosphonate, framework, pyridine
Poster Session: 27 Board: 194 Page in the Book of Abstracts: C402
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Mechanism of Phase Transition Caused by Water Absorption in FAPO-34
Authors: H. Imura, T. Akai, M. Yamazaki, H. Watanabe, T. Takewaki, H. Kakiuchi
Keywords: absorption material, phase transition, structural analysis
Poster Session: 27 Board: 195 Page in the Book of Abstracts: C403
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Direct Observation of Hydrogen Molecules adsorbed in a Coordination Polymer
Authors: Y. Kubota, M. Takata, R. Matsuda, R. Kitaura, S. Kitagawa, T. C. Kobayashi, K. Kato, M. Sakata
Keywords: gas storage materials, microporous coordination polymer, synchrotron powder diffraction
Poster Session: 27 Board: 196 Page in the Book of Abstracts: C403
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Magnetic and Structural Properties of Rare Earth Hybrid Frameworks
Authors: G. Punte, C. G. Pozzi, G. Echeverría, E. Brusau, G. Narda, J. Ellena
Keywords: organic inorganic hybrid materials, framework structures, molecular magnets
Poster Session: 27 Board: 197 Page in the Book of Abstracts: C403
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Novel Modular Coordination Frameworks
Authors: F. A. Almeida Paz, F.-N. Shi, J. Rocha, T. Trindade, J. Klinowski
Keywords: coordination polymers, materials, framework
Poster Session: 27 Board: 198 Page in the Book of Abstracts: C403
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Structure Fingerprints of Ordered Mesoporous Silica
Authors: M. C. A. Fantini, L. Silva, J. Matos, L. Mercuri
Keywords: porous solids, silicon oxides, small-angle diffraction
Poster Session: 27 Board: 199 Page in the Book of Abstracts: C404
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Design of Porous Bilayer Compounds Containing 1D Channels
Authors: K. O. Kongshaug, H. Fjellvåg
Keywords: single crystal structure determination, coordination polymers, porous materials
Poster Session: 27 Board: 200 Page in the Book of Abstracts: C404
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18 Electron Microscopy
3. New Techniques and New Instrumentation

Using Transmission Electron Microscopy (TEM) to Complement Powder Diffraction Data
Authors: F. Gramm, L. B. Mc Cusker, C. Bärlocher
Keywords: electron crystallography, powder diffraction, zeolites
Poster Session: 27 Board: 201 Page in the Book of Abstracts: C455
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Detection of Interstitial Atoms by Hollow-Cone Illumination HAADF-STEM
Authors: K. Saitoh, N. Tanaka
Keywords: scanning transmission electron microscopy, atomic resolution imaging, electron channelling
Poster Session: 27 Board: 202 Page in the Book of Abstracts: C456
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19 Electron Diffraction
3. Other Applications and Advances

Relation of Local and Integral Intensities of Reflections on Oblique Texture Electron Diffraction (OTED) Pattern
Authors: M. Nickolsky
Keywords: electron diffraction, image plate, texture patterns
Poster Session: 27 Board: 203 Page in the Book of Abstracts: C458
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Structure Determination of Embedded Precipitates by Precession Electron Diffraction and Synchrotron Radiation: a Comparison
Authors: V. Hansen, A. Kverneland, H. Bøvik Larsen, P. Pattison, R. Vincent, J. Gjønnes
Keywords: structural determination, electron diffraction, synchrotron radiation
Poster Session: 27 Board: 204 Page in the Book of Abstracts: C458
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Measurements of Valence Electron Distribution in Perovskite CaCu3Ti4O12
Authors: Y. Zhu, J. C. Zheng, L. Wu, J. Hanson, W. Ku
Keywords: charge density , convergent beam electron diffraction, perovskite
Poster Session: 27 Board: 205 Page in the Book of Abstracts: C458
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A Complex PbMnO2.75 Phase Solved by Electron Crystallography
Authors: H. Klein
Keywords: electron crystallography, perovskite, HRTEM
Poster Session: 27 Board: 206 Page in the Book of Abstracts: C458
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19 Electron Diffraction
4. No sub theme

Effect of Sonication and Grinding on the Structure of Hydrogenated Amorphous Carbon
Authors: P. Dasgupta, S. Chakraborty, C. Samanta
Keywords: hydrogenated amorphous carbon, electron diffraction, sonication
Poster Session: 27 Board: 207 Page in the Book of Abstracts: C459
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Late Abstracts
1

Crystal structures of Uricase complexed with its real substrate and product
Authors: A. Takénaka, T. Hossain, E.C. Magat Juan, K. Suzuki, T. Yamamoto, S. Imamura, T. Sekiguchi
Keywords: X-ray structure, uricase, Arthobacter globiformis
Poster Session: 27 Board: 208 Page in the Book of Abstracts: C0
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Antimony oxides: the pyrochlore-type structure revisited
Authors: M.-O. Figueiredo
Keywords: Antimony, Pyrochlore, Structure
Poster Session: 27 Board: 209 Page in the Book of Abstracts: C0
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This is an archive of the official website for the IUCrXX Congress at Florence in 2005. Some images and text may be missing and some links no longer work.