卤化物
钙钛矿(结构)
八面体
成形性
材料科学
结晶学
化学
无机化学
晶体结构
冶金
作者
Chonghea Li,Xionggang Lu,Wei Ding,Liming Feng,Yonghui Gao,Zhiyuan Guo
出处
期刊:Acta crystallographica
[International Union of Crystallography]
日期:2008-11-14
卷期号:64 (6): 702-707
被引量:768
标识
DOI:10.1107/s0108768108032734
摘要
In this study a total of 186 complex halide systems were collected; the formabilities of ABX 3 ( X = F, Cl, Br and I) halide perovskites were investigated using the empirical structure map, which was constructed by Goldschmidt's tolerance factor and the octahedral factor. A model for halide perovskite formability was built up. In this model obtained, for all 186 complex halides systems, only one system (CsF–MnF 2 ) without perovskite structure and six systems (RbF–PbF 2 , CsF–BeF 2 , KCl–FeCl 2 , TlI–MnI 2 , RbI–SnI 2 , TlI–PbI 2 ) with perovskite structure were wrongly classified, so its predicting accuracy reaches 96%. It is also indicated that both the tolerance factor and the octahedral factor are a necessary but not sufficient condition for ABX 3 halide perovskite formability, and a lowest limit of the octahedral factor exists for halide perovskite formation. This result is consistent with our previous report for AB O 3 oxide perovskite, and may be helpful to design novel halide materials with the perovskite structure.
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