A Rietveld refinement using neutron powder diffraction data of a fully deuterated topaz, Al2SiO4(OD)2

被引：13

作者：

Chen, JR ^{[1
]}

Lager, GA

Kunz, M

Hansen, TC

Ulmer, P

机构：

[1] Univ Louisville, Dept Geog & Geosci, Louisville, KY 40292 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA

[3] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France

[4] ETH Zentrum, Lab Kristallog, CH-8092 Zurich, Switzerland

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2005年 / 61卷

关键词：

D O I：

10.1107/S1600536805034811

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The structure of topaz-OD, dialuminium orthosilicate dihydroxide, Al2SiO4(OD)2, was refined in the space group Pbnm by Rietveld analysis of constant wavelength neutron powder diffraction data. Two non-equivalent half-occupied deuterium positions were located. Each D atom is characterized by an irregular trifurcated hydrogen-bond geometry. The refined hydrogen-bond distances are in the ranges 2.038 (5)-2.281 (6) and 2.280 (5)-2.524 (6) A for the two D atoms. Hydrogen-bond angles range from 83.6 (4) to 151.9 (4)degrees. Results indicate that it is feasible to characterize the hydrogen bonding in small-volume samples (25 mg) synthesized at high pressure and temperature.

引用

页码：I253 / I255

页数：3

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