Ab-initio determination of La2Mo4O15 crystal structure from X-rays and neutron powder diffraction

被引：46
|
作者：
Dubois, F
Goutenoire, F [1 ]
Laligant, Y
Suard, E
Lacorre, P
机构：
[1] Univ Maine, Lab Fluorures, UMR 6010, F-72085 Le Mans 9, France
[2] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France
来源：
JOURNAL OF SOLID STATE CHEMISTRY | 2001年 / 159卷 / 01期
关键词：
lanthanum; molybdate; oxide; ab-initio structural determination; coupled refinement; X-rays and neutron powder diffraction;
D O I：
10.1006/jssc.2001.9190
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The structure of LA(2)Mo(4)O(15) has been determined from both high resolution X-ray and neutron powder diffraction data. This molybdate crystallizes in a monoclinic space group P2(1)/n with cell parameters a = 9.0357(2) Angstrom, b = 12.7737(2) Angstrom, 10.6408(2) Angstrom, beta = 90.2491(6)degrees The structure consists of molybdenum octahedra [MoO6] and tetrahedra [MoO], and lanthanum polyhedra [LaO9], Molybdenum polyhedra are connected: together, forming large units [Mo6O22], isolated by lanthanum polyhedral chains, This structure is compared with those of already known lanthanide molybdates with formula Ln(2)Mo(4)O(15) (Ln = Ce, Ho). (C) 2001 Academic Press.
引用
收藏
页码：228 / 233
页数：6
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