XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 29th Apr 2024, 05:30:06am CEST
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Session Overview |
| Session | ||
MS-69a: Complex crystal structures - chemical crystallography
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| Session Abstract | ||
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For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below. | ||
| Introduction | ||
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2:45pm - 2:50pm
ID: 1800 / MS-69a: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:15pm
ID: 803 / MS-69a: 2 Materials and minerals Oral/poster MS: Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: monovalent gallium, lone pair effects, polyanions, modular structures Tellurides with monovalent Ga and In – from chains to networks 1Leipzig University, Leipzig, Germany; 2University of Amsterdam, Amsterdam, Netherlands External Resource:
 3:15pm - 3:40pm
ID: 512 / MS-69a: 3 Bursary application Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: Bond-length dispersion analysis, bond-length variation, bond-topological asymmetry, materials design Elucidation and quantification of the factors underlying bond-length variation in inorganic solids for the design of non-oxide materials with superior functional properties 1Geophysical Laboratory, Carnegie Institution for Science, 5251 Broad Branch Rd. NW, Washington D.C., 20015 USA; 2Department of Geological Sciences, University of Manitoba, 125 Dysart Rd, Winnipeg, MB, Canada Bibliography
In review: [12] Gagné*, O.C. On the crystal chemistry of inorganic nitrides: Crystal-chemical parameters and opportunities in the exploration of their compositional space. [11] Gagné*, O.C., Hawthorne, F.C. Bond-length distributions for ions bonded to oxygen: Results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids. Published 2018 [10] Gagné*, O.C., Mercier, P.H.J. and Hawthorne, F.C. (2018). A priori bond-valence and bond-length calculations in rock-forming minerals. Acta Crystallographica B74, 470-482. (INVITED ARTICLE: special issue on mineralogical crystallography). [9] Gagné, O.C., Hawthorne*, F.C., Shannon, R.D. and Fischer, R.X. (2018). Empirical electronic polarizabilities: deviations from the additivity rule. I. M2+SO4 · nH2O, bloedite Na2M2+(SO4)2 · 4H2O, and kieserite-related minerals with sterically strained structures. Physics and Chemistry of Minerals 45, 303-310. [8] Gagné*, O.C. and Hawthorne, F.C. (2018). Bond-length distributions for ions bonded to oxygen: Results for the non-metals and discussion of lone-pair stereoactivity and the polymerization of PO4. Acta Crystallographica B74, 79-96. [7] Gagné*, O.C. and Hawthorne, F.C. (2018). Bond-length distributions for ions bonded to oxygen: Metalloids and post-transition metals. Acta Crystallographica B74, 63-78. [6] Gagné*, O.C. (2018). Bond-length distributions for ions bonded to oxygen: Results for the lanthanides and actinides and discussion of the f-block contraction. Acta Crystallographica B74, 49-62. 2017 [5] Gagné*, O.C. and Hawthorne, F.C. (2017). Mean bond-length variations in crystals for ions bonded to oxygen. Acta Crystallographica B73, 1019-1031. (LEAD ARTICLE) [4] Gagné*, O.C. and Hawthorne, F.C. (2017). Empirical Lewis-acid strengths for 135 cations bonded to oxygen. Acta Crystallographica B73, 956-961. 2016 [3] Gagné, O.C. and Hawthorne*, F.C. (2016). Chemographic exploration of the milarite-type structure. Canadian Mineralogist 54, 1229-1247. [2] Gagné*, O.C. and Hawthorne, F.C. (2016). Bond-length distributions for ions bonded to oxygen: Alkali and Alkaline-earth Metals. Acta Crystallographica B72, 602-625. 2015 [1] Gagné*, O.C. and Hawthorne, F.C. (2015). Comprehensive derivation of bond-valence parameters for ion pairs involving oxygen. Acta Crystallographica B71, 562-578. External Resource:
3:40pm - 4:05pm
ID: 734 / MS-69a: 4 Chemical crystallography, crystal structures Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: High pressure synthesis, metallic oxides, hexagonal perovskites, Rh oxides Synthesis and investigation of the 4H and newly discovered 6H perovskite polymorphs of BaRhO3 between 7 – 22 GPa. 1Institute for Chemical Research, Kyoto University, Kyoto, Japan; 2Key Laboratory of Applied Chemistry, School of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao, P.R. China; 3Hakubi Center for Advanced Research, Kyoto University, Kyoto, Japan External Resource:
4:05pm - 4:30pm
ID: 791 / MS-69a: 5 Materials and minerals Oral/poster MS: Perovskites, Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: pervoskites, hybrid frameworks, negative thermal expansion, spectroscopy Enhancing the Chemical Flexibility of Hybrid Perovskites by Introducing Divalent Ligands 1School of Physical Sciences, University of Kent, Canterbury, Kent, United Kingdom; 2Department of Materials Engineering, Indian Institute of Science (IISc), Bangalore, Karnataka, India; 3Centre for X-ray Analytics, Empa – Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland External Resource:
4:30pm - 4:55pm
ID: 442 / MS-69a: 6 Bursary application Oral/poster MS: Composite and Incommensurate modulated crystals: structural and physical properties, Complex structures of minerals and inorganic materials Keywords: Aperiodic crystals; Incommensurate structures; modulation wavefunction; lock-in transition; single crystal XRD Temperature dependent structural studies of incommensurately modulated Rb2ZnCl4 1Laboratory of Crystallography, University of Bayreuth, 95447 Bayreuth, Germany; 2DESY, Notkestrasse 85, 22607 Hamburg, Germany; 3Univ. Grenoble Alpes, CNRS, Grenoble INP, BP 75, 38402 Saint Martin d'Hères Cedex, France Bibliography
D’Souza, S.D., Kotla, S.R., Bhatnagar, A.K., Kumar, A.S. (2017). AIP Conference Proceedings, 1832, 110061. Rekis, T., Schaller, A.M., Kotla, S.R., Schoenleber, A., Noohinejad, L., Tolkiehn, M., Paulmann, C., Smaalen, S. van (2021). IUCrJ, 8, 139–147. External Resource:
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