Conference Agenda

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
Presentations
10:20am - 10:25am

Introduction to session

Marie Colmont, Sergei Krivovichev



10:25am - 10:55am

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



10:55am - 11:25am

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.



11:25am - 11:45am

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

Marcin Stachowicz, Roman Gajda, Krzysztof Woźniak

University of Warsaw, Warsaw, Poland



11:45am - 12:05pm

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



12:05pm - 12:25pm

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