Abstract

Single crystals of new ternary bismuthides NaZnBi (I) and NaCdBi (II) are obtained by the self-flux technique. Its crystal structures are studied by single-crystal X-ray structure analysis (CIF file CCDC nos. 1956988 (I) and 1956989 (II)). The synthesized compounds form isostructural series with lighter pnictide analogs. Similarly to NaZnPn (Pn = P, As, Sb), compound I crystallizes in the structural type PbFCl, space group P4/nmm, a = 4.5114(5), c = 7.5970(10) Å, whereas compound II, as NaCdPn (Pn = As, Sb), can be assigned to the structural type MgSrSi, space group Pnma, a = 8.0812(5), b = 4.8026(3), c = 8.7320(7) Å. The crystal structure of compound I consists of antifluorite-like layers [ZnBi] separated by a layer of sodium atoms, whereas hexagonal corrugated [CdBi] layers, which are tightened between each other by Cd–Bi bonds with the formation of channels in which sodium atoms are localized, can be distinguished in the structure of compound II. The crystal structures of the synthesized bismuthides are compared both between each other and with lighter representatives of the isostructural series.

中文翻译：

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新三元铋NaZnBi和NaCdBi：合成和晶体结构

摘要

新的三元铋化物NaZnBi（I）和NaCdBi（II）的单晶是通过自磁通技术获得的。通过单晶X射线结构分析来研究其晶体结构（CIF文件，CCDC号1956988（I）和1956989（II））。合成的化合物与较轻的肽类似物形成同构系列。类似于NaZnPn（光合速率= P，砷，锑），化合物我结晶在结构类型PbFCl，空间群P 4 / NMM，一个= 4.5114（5），C ^ = 7.5970（10）A，而化合物II，为NaCdPn （Pn可以分配给结构类型MgSrSi，空间群Pnma，a = 8.0812（5），b = 4.8026（3），c = 8.7320（7）Å 。化合物I的晶体结构由被一层钠原子隔开的类防萤石层[ZnBi]组成，而六方波纹状[CdBi]层则通过Cd - Bi键彼此紧紧地结合在一起，形成钠通道原子是局部的，可以在化合物II的结构中加以区分。将合成的铋的晶体结构相互比较，并与同构系列的较轻代表进行比较。