Synthesis, Crystal Structure and Band Structure of EuMg_6Sn_(3.67)  

作　　者：岳呈阳 周芳霞 王明锋 张慧苹 雷晓武 

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

出　　处：《Chinese Journal of Structural Chemistry》2013年第4期495-500,共6页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21101075 and 21201081);the research foundation for excellent young and middle-aged scientists of Shandong Province(No.BS2011CL009 and BS2012CL008);the Science & Research Program foundation of high education of Shandong Province(No.J11LB52);the Rehearsal National Foundation of Jining University(Nos.2011YYJJ06 and 2011YYJJ07);the Youths Science Foundation of Jining University(No.2011QNKJ07)

摘　　要：EuMg6Sn3.67 has been synthesized by reacting the mixture of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction study. EuMg6Sn3.67 crystallizes in hexagonal space group P63/m （No. 176） with a = 11.7259（4）, c = 4.5507（2） A, V= 541.88（4）A3 Z = 2, Mr = 734.60, Dc= 4.502 g/cm3, μ = 14.348 mm-1, F（000） = 638, the final R = 0.0128 and wR = 0.0378 for 464 observed reflections with 1 〉 2σ-（1）. EuMg6Sn3.67 is closely related to the Ba2Mg2GeT.33 structure type and features a three-dimensional [Mg6Sn3.67] framework with one-dimensional hexagonal tunnels along the c-axis occupied by the Eu atoms. Electronic structure calculation indicates that the title compound is metallic.EuMg6Sn3.67 has been synthesized by reacting the mixture of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction study. EuMg6Sn3.67 crystallizes in hexagonal space group P63/m （No. 176） with a = 11.7259（4）, c = 4.5507（2） A, V= 541.88（4）A3 Z = 2, Mr = 734.60, Dc= 4.502 g/cm3, μ = 14.348 mm-1, F（000） = 638, the final R = 0.0128 and wR = 0.0378 for 464 observed reflections with 1 〉 2σ-（1）. EuMg6Sn3.67 is closely related to the Ba2Mg2GeT.33 structure type and features a three-dimensional [Mg6Sn3.67] framework with one-dimensional hexagonal tunnels along the c-axis occupied by the Eu atoms. Electronic structure calculation indicates that the title compound is metallic.

关 键 词：INTERMETALLIC STANNIDE crystal structure band structure calculation 

分 类 号：O611.4[理学—无机化学]