No. 20113 Deposited at http://cryst.instr.yamaguchi-u.ac.jp/20113
Journal: Journal of the Physical Society Japan 80, No.8, pp.* (August 2011)
Title: Hydrogen Atom of KH2AsO4 Determined by Neutron Diffraction Study
Authors: T. Miyoshi, T. Akimoto, and H. Mashiyama*
Affiliation: Fuculty of Science, Yamaguchi University,
Yamaguchi 753-8512, Japan
(Received March 9, 2011)
Abstract:
The crystal structure of KH2AsO4 (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 a little longer than that of KH2PO4 (KDP).
A double peaked distribution of H with the splitting distance d is visualized directly in the nuclear density map obtained using 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.
Keywords: KDP family, hydrogen bonding, ferroelectrics, disordered proton, neutron diffraction, structure analysis
* Corresponding author, e-mail: mashi@yamaguchi-u.ac.jp
Errata
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