The Atomic Order of the Pnictogen and Chalcogen Atoms in Equiatomic Ternary Compounds TPnCh (T=Ni, Pd; Pn=P, As, Sb; Ch=S, Se, Te)
作者:Aloys J. Foecker、Wolfgang Jeitschko
DOI:10.1006/jssc.2001.9342
日期:2001.11
structures of the compounds NiAsS, NiSbS, PdAsS, PdAsSe, PdSbSe, and PdSbTe were refined from single-crystal X-ray diffractometer data. In these cubic compounds the pnictogen and chalcogen atoms show an ordered distribution corresponding to the ullmannite (NiSbS) type structure (space group P213, Z=4). By analogy this can be assumed for NiPS and NiAsSe, although for these compounds the structure refinements
从单晶X射线衍射仪数据中细化了化合物NiAsS,NiSbS,PdAsS,PdAsSe,PdSbSe和PdSbTe的晶体结构。在这些立方化合物中,光气原子和硫属元素原子显示出与方铅矿(NiSbS)型结构(空间群P 2 1 3,Z= 4)。类似地,对于NiPS和NiAsSe可以假定这一点,尽管对于这些化合物,结构上的改进无法区分光能原和硫属元素原子的无序分布(对应于黄铁矿结构)还是有序分布(对应于绿铅矿)。或钴矿)。所有原子位置都完全在±2%的误差范围内。对X射线粉末数据的改进也建立了NiSbSe的钙锰矿结构。从单晶数据中细化了PdPSe的PdPS型结构。在三元体系Ni–P–Se,Ni–P–Te,Ni–As–Te,Ni–Sb–Te,Pd–P–Te和Pd–As–Te三元体系中未观察到等原子的三元化合物。对单晶数据的精炼显示Ni 0.766(5) Sb 0.50(3) Te 0.50(3)以缺陷N