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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Structure-forming components in crystals of ternary and quaternary 3d-metal complex fluorides
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Structure-forming components in crystals of ternary and quaternary 3d-metal complex fluorides

机译：三元和四元3d-金属络合物氟化物晶体中的结构形成组分

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摘要

Crystallochemical analysis and classification were performed for 139 ternary and quaternary complex fluorides with the general formula M1(n)M2(m)M3F(6), belonging to 33 structure types. Using coordination sequences and the uniformity criterion the structure-forming ionic sublattices or their combinations were found, which are responsible for the formation of stable periodic frameworks. Analysis of structure-forming motifs allows the interpretation of the crystal structures of complex fluorides as close packings of F ions with M1, M2 and M3 cations, partially occupying tetrahedral and octahedral voids, or as the packings of [M3F(6)] complex ions with M1 and M2 countercations in the voids. Cationic sublattices are noted to play an essential role, while forming crystal structures of complex fluorides. Relationships between the composition of structure-forming sublattices, the composition of compounds, and the size and charge of ions belonging to the sublattices were analysed under normal conditions, with thermal and high-pressure polymorphic transitions. Rules were formulated to predict the crystal structures of complex fluorides with a given chemical composition. [References: 50]
机译：对通式为M1（n）M2（m）M3F（6）的139种三元和四元络合物氟化物进行了晶体化学分析和分类，属于33种结构类型。使用配位序列和均匀性标准，发现了形成结构的离子亚晶格或其组合，它们负责形成稳定的周期性骨架。分析结构形成的基序可以将复杂氟化物的晶体结构解释为F离子与M1，M2和M3阳离子紧密堆积，部分占据四面体和八面体空隙，或解释为[M3F（6）]复杂离子的堆积在空隙中带有M1和M2反阳离子。注意到阳离子亚晶格在形成复杂氟化物的晶体结构的过程中起着至关重要的作用。在正常条件下，通过热和高压多态转变，分析了结构形成亚晶格的组成，化合物的组成以及属于亚晶格的离子的大小和电荷之间的关系。制定规则以预测具有给定化学组成的复杂氟化物的晶体结构。 [参考：50]

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