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

被引：19

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.

引用

页码：581 / 584

页数：4

共 14 条

[1]

ABRAMOWITZ M, 1964, NBS APPLIED MATH SER, V55

[2] BOND-VALENCE PARAMETERS FOR SOLIDS [J].