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: 1st Nov 2024, 12:36:59am CET

 
 
Session Overview
Session
MS-69a: Complex crystal structures - chemical crystallography
Time:
Thursday, 19/Aug/2021:
2:45pm - 5:10pm

Session Chair: Marie Colmont
Session Chair: Sergey V. Krivovichev
Location: Club A

170 1st floor

Session Abstract

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.


Introduction
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Presentations
2:45pm - 2:50pm
ID: 1800 / MS-69a: 1
Introduction
Oral/poster

Introduction to session

Marie Colmont, Sergei Krivovichev



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

Tobias Lindemann1, Anna Isaeva2, Oliver Oeckler1

1Leipzig University, Leipzig, Germany; 2University of Amsterdam, Amsterdam, Netherlands

External Resource:
Video Link


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

Olivier C. Gagné1, Frank C. Hawthorne2, Robert M. Hazen1

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:
Video Link


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.

Sean Dusan Injac1, Yuanhui Xu1,2, Fabio Denis Romero1,3, Yuichi Shimakawa1

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:
Video Link


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

Paul J. Saines1, Lydia G. Burley1, James Beecham-Lonsdale1, Anant Kumar Srivastava1,2, Ines E. Collings3

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:
Video Link


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

Surya Rohith Kotla1, Achim Mathias Schaller1, Toms Rekis1, Sitaram Ramakrishnan1, Jin-Ke Bao1, Leila Noohinejad2, Sander Van Smaalen1, Geoffroy de Laitre3, Marc de Boissieu3

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:
Video Link


 
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