The determination of deuteron site in SrZr0.95Sc0.05O3-α by neutron powder diffraction

被引：10
作者：
Ito, Tsuyoshi [1 ]
Nagasaki, Takanori
Iwasaki, Kouta
Yoshino, Masahito
Matsui, Tsuneo
Igawa, Naoki
Ishii, Yoshinobu
机构：
[1] Nagoya Univ, Grad Sch Engn, Dept Mat Phys & Energy Engn, Chikusa Ku, Nagoya, Aichi 4648603, Japan
[2] Nagoya Univ, EcoTopia Sci Inst, Chikusa Ku, Nagoya, Aichi 4648603, Japan
[3] Japan Atom Energy Agcy, Quantum Beam Sci Directorate, Tokai, Ibaraki 3191195, Japan
来源：
SOLID STATE IONICS | 2006年 / 177卷 / 26-32期
关键词：
neutron diffraction; proton conductor; SrZrO3; QUANTUM MOLECULAR-DYNAMICS; PROTON; BACEO3; CONDUCTION;
D O I：
10.1016/j.ssi.2006.03.052
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
High-resolution, powder, neutron diffraction data have been collected on the protonic conductors SrZr0.95Sc0.05O3-alpha with and without dissolved heavy water at a temperature of 10K. Diffraction data have been analyzed by the Rietveld and maximum entropy methods (MEM). The crystal structure of these samples at 10K is successfully refined assuming a perovskite-type structure with the space group Pnma. The deuterons are located outside the ZrO6/ScO6 octahedra near oxygen atoms. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码：2353 / 2356
页数：4
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