CRYSTAL-STRUCTURE AND PROFILE FITTING OF MG(OD)2 BY TIME-OF-FLIGHT NEUTRON-DIFFRACTION

被引：17
|
作者：
PARTIN, DE [1 ]
OKEEFFE, M [1 ]
VONDREELE, RB [1 ]
机构：
[1] LOS ALAMOS NATL LAB,LANSCE,LOS ALAMOS,NM 87545
来源：
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1994年 / 27卷 / pt 4期
关键词：
D O I：
10.1107/S0021889893008672
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The crystal structure of Mg(OD)2 has been refined from time-of-flight (TOF) neutron diffraction data. M(r) = 60.304, trigonal, P3m1BAR, a = 3.1455 (1), c = 4.7646(3) angstrom, Y = 40.831(4) angstrom, Z = 4, D(x) = 2.453 g cm-3, neutron time of flight, Rietveld refinement, R(wp) = 3.84%, R(p) = 2.83%, reduced chi2 = 2.98 for 70 variables, data collected at 305 K. The O-D bond length is 0.937 (1) angstrom (0.956 angstrom corrected for 'riding' motion). The use of a pseudo-Voigt profile function to allow for strain and particle-size broadening in TOF neutron diffraction of fine anisotropic powders is described.
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收藏
页码：581 / 584
页数：4
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