Crystal structure of Ba2La4Ti5O18, member n = 6 of the homologous series (Ba,La)nTin−1O3n of cation deficient perovskite-related compounds

N. Harre, D. Mercurio, G. Trolliard, B. Frit
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引用次数: 21

Abstract

Ba2La4Ti5O18 crystallizes in the trigonal system (space group R3) with the unit-cell parameters: a = 5.584 (1) Å; c = 41.176 (8) Å; Z= 3.

The structure has been solved from single crystal X-ray diffraction data to a final R1 = 0.0285. Ba and La atoms are twelve-fold coordinated and Ti atoms six-fold coordinated. The structure can be described as consisting of identical perovskite-like blocks, five corner-sharing TiO6 octahedra thick, separated by layers of vacant octahedra. The distortion of the cation and anion sublattices has been analysed and a Ba/La order has been evidenced.

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缺阳离子钙钛矿相关化合物Ba2La4Ti5O18的晶体结构,成员n = 6的同源系列(Ba,La)nTin−103n
Ba2La4Ti5O18在三角体系(空间群R3)中结晶,晶胞参数为:a = 5.584 (1) Å;C = 41.176 (8) Å;Z = 3。从单晶x射线衍射数据对其结构进行了求解,最终得到R1 = 0.0285。Ba和La原子为12倍配位,Ti原子为6倍配位。该结构可以描述为由相同的钙钛矿样块组成,五个共享角的TiO6八面体厚,由多层空八面体隔开。分析了阳离子亚晶格和阴离子亚晶格的畸变,并证实了Ba/La序。
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