Hydrogen Atom of KH2AsO4 Determined by Neutron Diffraction Study | Zendy

Tatsuki Miyoshi | Zendy; Tomoshi Akimoto | Zendy; Hiroyuki Mashiyama | Zendy

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Hydrogen Atom of KH₂AsO₄ Determined by Neutron Diffraction Study

Author(s) -

Tatsuki Miyoshi,

Tomoshi Akimoto,

Hiroyuki Mashiyama

Publication year - 2011

Publication title -

journal of the physical society of japan

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.76

H-Index - 139

eISSN - 1347-4073

pISSN - 0031-9015

DOI - 10.1143/jpsj.80.074607

Subject(s) - neutron diffraction , materials science , hydrogen , hydrogen atom , neutron , crystal structure , crystallography , diffraction , atom (system on chip) , crystal (programming language) , single crystal , atomic physics , chemistry , physics , optics , nuclear physics , programming language , alkyl , organic chemistry , computer science , embedded system

The crystal structure of KH_2AsO_4 (KDA) is refined at room temperature by neutron single-crystal structural analysis. The distance ROO between two oxygen atoms bonded by a hydrogen atom is slightly longer than that in KH_2PO_4 (KDP). A double-peak distribution of H with the splitting distance δ is visualized directly in the nuclear density map obtained by the maximum entropy method. The parameter δ of KDA is also larger than that of KDP, though the transition temperature of KDA is lower than that of KDP

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