HIGH-RESOLUTION NEUTRON POWDER DIFFRACTION STUDIES OF THE STRUCTURE OF CSDSO4

被引：84

作者：

BELUSHKIN, AV

DAVID, WIF

IBBERSON, RM

SHUVALOV, LA

机构：

[1] RUTHERFORD APPLETON LAB,DIDCOT OX11 0QX,OXON,ENGLAND

[2] MOSCOW CRYSTALLOG INST,MOSCOW 117333,USSR

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1991年 / 47卷

关键词：

D O I：

10.1107/S010876819001076X

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

High-resolution neutron powder diffraction data were used to determine the crystal structure of the superionic conductor CsDSO4 at 300 K (low-conductivity phase) and at 448 K (superionic phase). A full structural analysis was performed, using the Rietveld method, to obtain previously unknown atomic positions, site occupancies and temperature factors for the light atoms. The mechanism of deuterium diffusion is discussed. At 300 K: monoclinic, P2(1)/c, a = 7.78013 (9), b = 8.13916 (2), c = 7.72187 (9) angstrom, beta = 110.8720 (4)-degrees, R(wp) = 4.19% for 7331 profile points (844 reflections). At 448 K: tetragonal, I4(1)/amd, a = 5.74147 (9), c = 14.31508 (26) angstrom, R(wp) = 2.21% for 8289 profile points (194 reflections).

引用

页码：161 / 166

页数：6

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