三元K2Zn5As4型磷化物Rb2Cd5As4和Rb2Zn5Sb4以及固溶体Rb2Cd5(As,Sb)4
Ternary K2Zn5As4-type pnictides Rb2Cd5As4 and Rb2Zn5Sb4, and the solid solution Rb2Cd5(As,Sb)4.
作者信息
He Hua, Stoyko Stanislav S, Mar Arthur, Bobev Svilen
机构信息
Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA.
出版信息
Acta Crystallogr C. 2013 May;69(Pt 5):455-9. doi: 10.1107/S010827011300766X. Epub 2013 Apr 9.
Dirubidium pentacadmium tetraarsenide, Rb2Cd5As4, dirubidium pentazinc tetraantimonide, Rb2Zn5Sb4, and the solid-solution phase dirubidium pentacadmium tetra(arsenide/antimonide), Rb2Cd5(As,Sb)4 [or Rb2Cd5As3.00(1)Sb1.00(1)], have been prepared by direct reaction of the component elements at high temperature. These compounds are charge-balanced Zintl phases and adopt the orthorhombic K2Zn5As4-type structure (Pearson symbol oC44), featuring a three-dimensional M5Pn4 framework [M = Zn or Cd; Pn is a pnicogen or Group 15 (Group V) element] built of linked MPn4 tetrahedra, and large channels extending along the b axis which host Rb(+) cations. The As and Sb atoms in Rb2Cd5(As,Sb)4 are randomly disordered over the two available pnicogen sites. Band-structure calculations predict that Rb2Cd5As4 is a small-band-gap semiconductor and Rb2Zn5Sb4 is a semimetal.
五镉四砷化二铷（Rb₂Cd₅As₄）、五锌四锑化二铷（Rb₂Zn₅Sb₄）以及固溶体相五镉四（砷化物/锑化物）化二铷（Rb₂Cd₅(As,Sb)₄ [或Rb₂Cd₅As₃.₀₀(1)Sb₁.₀₀(1)]）是通过在高温下使各组成元素直接反应制备而成的。这些化合物是电荷平衡的津特耳相，采用正交晶系的K₂Zn₅As₄型结构（皮尔逊符号oC44），其特征是具有一个三维的M₅Pn₄骨架[M = Zn或Cd；Pn为氮族元素或第15族（Ⅴ族）元素]，该骨架由相连的MPn₄四面体构成，并且有沿b轴延伸的大通道，其中容纳Rb(+)阳离子。在Rb₂Cd₅(As,Sb)₄中，As和Sb原子在两个可用的氮族元素位点上随机无序分布。能带结构计算预测，Rb₂Cd₅As₄是一种小带隙半导体，而Rb₂Zn₅Sb₄是一种半金属。
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