Conference Agenda

Session
MS-65: Graphs, tilings and crystal structures
Time:
Thursday, 19/Aug/2021:
2:45pm - 5:10pm

Session Chair: Mark Loyola
Session Chair: Bernd Souvignier
Location: Club D

50 1st floor

Invited: Vladislav A. Blatov (Russia), Jean-Guillaume Eon (Brazil)


Session Abstract

Covalent crystals and supramolecular structures from MOFs to DNA nanostructures may be represented by combinatorial structures such as graphs and tilings. Considered topologically, the connectivity and symmetry properties of these structures are useful for design and classification. For example, combinatorial and topological properties such as coordination sequences or smallest rings are used in cataloguing crystal nets. Considered geometrically, the realizations of these structures have implications for functionality and analysis. Both topology and geometry underlie program design for crystallographic computation. This session will span the spectrum from the underlying theory of combinatorial, geometrical and topological structures used to model crystals to the development of heuristics and algorithms for crystal design and analysis.

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


Introduction
Presentations
2:45pm - 2:50pm

Introduction to session

Mark Loyola, Bernd Souvignier



2:50pm - 3:20pm

Perceiving zeolite self-assembly within the natural tiling model

Vladislav A. Blatov1,2

1Samara Center for Theoretical Materials Science (SCTMS), Samara National Research University, Samara, Russian Federation; 2Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical University, Samara, Russian Federation



3:20pm - 3:50pm

Combinatorial aspects of Löwenstein’s rule

Jean-Guillaume Eon1, Montauban Moreira de Oliveira Jr2

1Federal University of Rio de Janeiro, Rio de Janeiro, Brazil; 2Rural Federal University of Rio de Janeiro



3:50pm - 4:15pm

Layer Groups associated with 3-way 3-fold isonemal fabrics

Kristan B. Liza, Ma. Louise Antonette N. De Las Penas

Ateneo De Manila University, Quezon City, Philippines



4:15pm - 4:40pm

A unique and continuous code of all periodic crystals

Vitaliy Kurlin, Olga Anosova, Daniel Widdowson

University of Liverpool, Liverpool, United Kingdom



4:40pm - 5:05pm

Synthesis of magnetically frustrated oxides with double perovskite structure

Anastasiia Smerechuk1,2, Ryan Morrow1, Sabine Wurmehl1, Oleg Sidletskiy2

1Institute for Solid-State and Materials Research, Dresden, Germany; 2Institute for Scintillation Materials NAS of Ukraine, Kharkiv, Ukraine