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).

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Session Overview
Session
MS-79(69b): Complex structures of minerals and inorganic materials
Time:
Friday, 20/Aug/2021:
10:20am - 12:45pm

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

50 1st floor

Introduction
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Presentations
10:20am - 10:25am
ID: 1810 / MS-79(69b): 1
Introduction
Oral/poster

Introduction to session

Marie Colmont, Sergei Krivovichev



10:25am - 10:55am
ID: 1185 / MS-79(69b): 2
Materials and minerals
Oral/poster
MS: Complex structures of minerals and inorganic materials
Keywords: high pressure, electron density, theoretical structure factors

Tracing electron density changes in langbeinite under pressure

Roman Gajda1, Dongzhou Zhang2, Jan Parafiniuk3, Przemysław Dera4, Krzysztof Woźniak1

1Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, 101 Żwirki i Wigury, Warszawa, 02-089, Poland; 2APS, University of Chicago, 9700 S Cass Ave, Bldg 434A, Argonne, IL 60439, USA; 3Institute of Geochemistry, Mineralogy and Petrology, Department of Geology, University of Warsaw, Żwirki i Wigury 93, Warszawa 02-089, Poland; 4Hawaii Institute of Geophysics and Planetology, School of Ocean and Earth Science and Technology, University of Hawaii at Manoa, 1680 East West Road, Honolulu, Hawaii 96822, USA

External Resource:
Video Link


10:55am - 11:25am
ID: 1366 / MS-79(69b): 3
Chemical crystallography, crystal structures
Oral/poster
MS: Complex structures of minerals and inorganic materials, Quantum crystallographic studies on intra/inter-molecular interactions
Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas)
Keywords: High-resolution X-ray Diffraction, Experimental Electron Density Distribution, Minerals, QTAIM, Perovskites

Experimental Electron Density Distribution and QTAIM Topological Analysis for the Perovskite Mineral: Sulphohalite – Na6(SO4)2FCl

Agata Wróbel, Roman Gajda, Krzysztof Woźniak

Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Poland.

External Resource:
Video Link


11:25am - 11:45am
ID: 1310 / MS-79(69b): 4
Materials and minerals
Oral/poster
MS: Complex structures of minerals and inorganic materials
Keywords: high pressure, charge redistribution, multipole model, atomic basin

Direct observation of pressure induced charge density redistribution at ions in zeolite, hsianghualite

Marcin Stachowicz, Roman Gajda, Krzysztof Woźniak

University of Warsaw, Warsaw, Poland

External Resource:
Video Link


11:45am - 12:05pm
ID: 680 / MS-79(69b): 5
Materials and minerals
Oral/poster
MS: Complex structures of minerals and inorganic materials, Function and application of porous crystals
Keywords: Zeotype, ion-exchange, titanium, zirconium

Structural studies of titanium and zirconium silicate ion-exchange materials for the treatment of nuclear waste

Jennifer Readman

University of Central Lancashire, Preston, United Kingdom

External Resource:
Video Link


12:05pm - 12:25pm
ID: 155 / MS-79(69b): 6
Chemical crystallography, crystal structures
Oral/poster
MS: Complex structures of minerals and inorganic materials, Crystal chemistry with emerging technology, Non-covalent interactions in crystal engineering
Keywords: Anion-π and Halide-Halide Non-Bonding Interactions; Crystal and Magnetic Structure; Halometallate Complex; Magneto-Structural Correlations; Three-Dimensional Magnetic Ordering, Ferroelectric, dielectric response.

Crystal and Magnetic structures and Dielectric phase transition of the novel Organic-Inorganic Hybrid Halometallate compound: (quinuclidine)[FeCl4]

Palmerina González-Izquierdo1,2, Oscar Fabelo1, Imanol de Pedro del Valle2, María Teresa Fernández-Díaz1, Laura Canadillas-Delgado1, Garikoitz Beobide3, Manuel Sánchez Andújar4

1ILL, Grenoble, France; 2CITIMAC, Universidad de Cantabria, Spain; 3Inorganic Chemistry, Universidad del Pais Vasco, EHU/UPV, Spain; 4Department of Chemistry, Universidade da Coruna, Spain

External Resource:
Video Link


 
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