Synthesis,Crystal Structure and Band Structure of Tb_3Co_4Sn_(13)  

作　　者：雷晓武 岳呈阳 

机构地区：[1]Department of Chemistry and Chemical Engineering,Jining University

出　　处：《Chinese Journal of Structural Chemistry》2011年第6期805-810,共6页结构化学（英文）

基　　金：supported by the Youth Science Foundation of Jining University (2009QNKJ07)

摘　　要：A new intermetallic compound,Tb3Co4Sn13,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.Tb3Co4Sn13 crystallizes in cubic,space group Pm3n（No.223） with a = 9.5072（2） ,V = 859.33（3） 3,Z = 2,Mr = 2255.45,Dc = 8.717 g/cm3,μ = 34.369 mm-1,F（000） = 1906,and the final R = 0.0140 and wR = 0.0312 for 199 observed reflections with I〉 2σ（I）.The structure of Tb3Co4Sn13 belongs to the Yb3Rh4Sn13 type.It is isostructural with RE3Co4Sn13（RE = La,Ce）,featuring a 3D [Co4Sn12] framework based on [CoSn6] trigonal prisms.The [CoSn6] trigonal prisms are interconnected via corner-sharing and Sn-Sn bonds to form a 3D [Co4Sn12] framework.The other Sn and Tb atoms are located in the spacers of the 3D framework.Band structure calculations indicate that Tb3Co4Sn13 is metallic.A new intermetallic compound,Tb3Co4Sn13,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.Tb3Co4Sn13 crystallizes in cubic,space group Pm3n（No.223） with a = 9.5072（2） ,V = 859.33（3） 3,Z = 2,Mr = 2255.45,Dc = 8.717 g/cm3,μ = 34.369 mm-1,F（000） = 1906,and the final R = 0.0140 and wR = 0.0312 for 199 observed reflections with I〉 2σ（I）.The structure of Tb3Co4Sn13 belongs to the Yb3Rh4Sn13 type.It is isostructural with RE3Co4Sn13（RE = La,Ce）,featuring a 3D [Co4Sn12] framework based on [CoSn6] trigonal prisms.The [CoSn6] trigonal prisms are interconnected via corner-sharing and Sn-Sn bonds to form a 3D [Co4Sn12] framework.The other Sn and Tb atoms are located in the spacers of the 3D framework.Band structure calculations indicate that Tb3Co4Sn13 is metallic.

关 键 词：INTERMETALLIC STANNIDE crystal structure band structure calculation 

分 类 号：O641[理学—物理化学]