Structure of ice VII with Hirshfeld atom refinement

In the refinement of the crystal structures of ice, the best results obtained so far have been with neutron diffraction because the most troublemaking aspects are the hydrogen atoms. In nine out of twenty ice structures, the hydrogen atoms are disordered, which makes proper refinement more difficult...

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Bibliographic Details
Main Authors: Roman Gajda, Michał Chodkiewicz, Dongzhou Zhang, Phuong Nguyen, Vitali Prakapenka, Krzysztof Wozniak
Format: Article
Language:English
Published: International Union of Crystallography 2025-05-01
Series:IUCrJ
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Online Access:https://journals.iucr.org/paper?S2052252525002581
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