Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement

Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement

Water is an essential chemical compound for living organisms, and twenty of its different crystal solid forms (ices) are known. Still, there are many fundamental problems with these structures such as establishing the correct positions and thermal motions of hydrogen atoms. The list of ice structure...

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Bibliographic Details
Main Authors: Michal L. Chodkiewicz, Roman Gajda, Barbara Lavina, Sergey Tkachev, Vitali B. Prakapenka, Przemyslaw Dera, Krzysztof Wozniak
Format: Article
Language:English
Published: International Union of Crystallography 2022-09-01
Series:IUCrJ
Subjects:
deuterated ice
hirshfeld atom refinement
quantum crystallography
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2052252522006662

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http://scripts.iucr.org/cgi-bin/paper?S2052252522006662

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