首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2·ABr3·0.5H2O (A = K Rb Cs)
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Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2·ABr3·0.5H2O (A = K Rb Cs)

机译:杂化钙钛矿新家族的合成与晶体结构:C5H14N2·ABr3·0.5H2O(A = KRbCs)

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摘要

The syntheses and crystal structures of three hybrid perovskites, viz. poly[1-methyl­piperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate], {(C5H14N2)[KBr3]·0.5H2O}n, (I), poly[1-methyl­piperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate], {(C5H14N2)[RbBr3]·0.5H2O}n, (II), and poly[1-methyl­piperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate], {(C5H14N2)[CsBr3]·0.5H2O}n, (III), are described. These isostructural (space group Amm2) phases contain a three-dimensional, corner-sharing network of distorted ABr6 octa­hedra (A = K, Rb, Cs) with the same topology as the classical perovskite structure. The doubly protonated C5H14N2 2+ cations occupy inter­stices bounded by eight octa­hedra and the water mol­ecules lie in square sites bounded by four octa­hedra. N—H⋯Br, N—H⋯(Br,Br), N—H⋯O and O—H⋯Br hydrogen bonds consolidate the structures.
机译:三种杂化钙钛矿的合成和晶体结构。聚[1-甲基哌嗪-1,4-二[三-溴溴化钾]半水合物],{(C5H14N2)[KBr3]·0.5H2O} n,(I),聚[1-甲基哌嗪-1,4- [三-溴溴化rub]半水合物],{(C5H14N2)[RbBr3]·0.5H2O} n,(II)和聚[1-甲基哌嗪-1,4-二碘三[溴溴化铯] ]半水合物],{(C5H14N2)[CsBr3]·0.5H 2 O} n (III)进行了描述。这些同构(空间群Amm2)相包含扭曲的ABr 6 八面体(A = K,Rb,Cs)的三维角共享网络,其拓扑与经典钙钛矿结构相同。质子化的C 5 H 14 N 2 2 + 阳离子占据以八面体和水分子为界的间隙坐落在以四个八面体为边界的方形场地中。 N-H⋯Br,N-H⋯(Br,Br),N-H⋯O和O-H⋯Br氢键巩固结构。

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