Ordered double perovskites - a group-theoretical analysis

被引:453
|
作者
Howard, CJ
Kennedy, BJ
Woodward, PM
机构
[1] Australian Nucl Sci & Technol Org, Menai, NSW 2234, Australia
[2] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia
[3] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia
[4] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
关键词
D O I
10.1107/S0108768103010073
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Group-theoretical methods are used to enumerate the structures of ordered double perovskites, A(2)BB'X-6, in which the ordering of cations B and B' into alternate octahedra is considered in combination with the ubiquitous BX6 (or B'X-6) octahedral tilting. The cation ordering on the B-cation site is described by the irreducible representation R-1(+) of the Pm (3) over barm space group of the cubic aristotype, while the octahedral tilting is mediated by irreducible representations M-3(+) and R-4(+). There are 12 different structures identified, and the corresponding group-subgroup relationships are displayed. Known structures are briefly reviewed.
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页码:463 / 471
页数:9
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