A POWDER NEUTRON-DIFFRACTION STUDY OF SEMICONDUCTING AND METALLIC NIOBIUM DIOXIDE

被引:75
作者
BOLZAN, AA
FONG, C
KENNEDY, BJ
HOWARD, CJ
机构
[1] UNIV SYDNEY,DEPT INORGAN CHEM,SYDNEY,NSW 2006,AUSTRALIA
[2] AUSTRALIAN NUCL SCI & TECHNOL ORG,LUCAS HTS RES LABS,MENAI,NSW 2234,AUSTRALIA
关键词
D O I
10.1006/jssc.1994.1334
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Rietveld analysis of neutron powder diffraction patterns from niobium dioxide at 295 and 1300 K have been performed. At 1300 K NbO2 adopts a rutile-type structure (P4(2)/mnm, a = 4.8463 angstrom, c = 3.0315 angstrom, x = 0.2924), whereas the room temperature form can be described as a superstructure with a subcell of the rutile type (I4(1)/a, a = 13.7020 angstrom, c = 5.9850 angstrom). Both the c axis and the oxygen position parameter in the rutile phase are anomalously small compared with other rutile dioxides. This can be rationalized in terms of M-M bonding. Both the niobium and the oxygen thermal displacement are large in the rutile phase. (C) 1994 Academic Press, Inc.
引用
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页码:9 / 14
页数:6
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