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Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
Published on: March 22, 2019
The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
Gemma de la Flor1,2, Danel Orobengoa2, Robert A Evarestov3
1Karlsruhe Institute of Technology, Institute of Applied Geosciences, Karlsruhe, Germany.
Abstract:
The section of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) dedicated to subperiodic groups includes a new tool called LSITESYM for the study of materials with layer and multilayer symmetry. This new program, based on the site-symmetry approach, establishes the symmetry relations between localized and extended crystal states using representations of layer groups. The efficiency and utility of the program LSITESYM is demonstrated by illustrative examples, which include the analysis of phonon symmetry in Aurivillius compounds and in van der Waals layered crystals MoS2 and WS2.
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