Hydrogen Atom of KH^sub 2^AsO^sub 4^ Determined by Neutron Diffraction Study

Hydrogen Atom of KH^sub 2^AsO^sub 4^ Determined by Neutron Diffraction Study

The crystal structure of KH2AsO4 (KDA) is refined at room temperature by neutron single-crystal structural analysis. The distance R OO between two oxygen atoms bonded by a hydrogen atom is slightly longer than that in KH2AsO4 (KDP). A double-peak distribution of H with the splitting distance d is vi...

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Veröffentlicht in:Journal of the Physical Society of Japan 2011-07, Vol.80 (7), p.1
Hauptverfasser: Miyoshi, Tatsuki, Akimoto, Tomoshi, Mashiyama, Hiroyuki
Format: Artikel
Sprache:eng
Schlagworte:
Atoms & subatomic particles
Crystal structure
Diffraction
Hydrogen bonds
Maximum entropy method
Neutrons
Single crystals
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Zusammenfassung:The crystal structure of KH2AsO4 (KDA) is refined at room temperature by neutron single-crystal structural analysis. The distance R OO between two oxygen atoms bonded by a hydrogen atom is slightly longer than that in KH2AsO4 (KDP). A double-peak distribution of H with the splitting distance d is visualized directly in the nuclear density map obtained by the maximum entropy method. The parameter d of KDA is also larger than that of KDP, though the transition temperature of KDA is lower than that of KDP.
ISSN:0031-9015
1347-4073