Synthesis, Crystal Structure and Chemical Bonding of a New Binary Lu-Sn Phase: Lu_(11)Sn_(10)  

作　　者：岳呈阳 周芳霞 王明峰 张慧苹 雷晓武 

机构地区：[1]Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University

出　　处：《Chinese Journal of Structural Chemistry》2013年第6期857-862,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：A new tetragonal phase of LunSnl0 is obtained from high temperature reaction of the pure elements in a welded tantalum tube. Its crystal structure was established by single-crystal X-ray diffraction. Lu11Sn10 crystallizes in the tetragonal space group 14/mmm （No. 139） with a = 11.2953（18）, c = 16.424（4） A, V= 2095.5（7）A3, Z= 4, Mr = 3111.57, Dc = 9.863 g/cm^3, p = 62.897 -1 mm , F（000） = 5124, and the final R = 0.0348 and wR = 0.0894 for 706 observed reflections with 1 〉 2σ（I）. The structure of LullSnl0 may be derived from the HonGel0 structural type. It is isostructural with DyllSn10, featuring a three-dimensional （3D） framework composed of [Sn4] squares and [Sn2] dimers interlinked via Sn-Sn bonds with two types of one-dimensional （1D） tunnels along the c-axis, which are occupied by isolated Sn atoms, [Sn2] dimers and all the Lu atoms Band structure calculation based on density functional theory method indicates that LUllSn10 is metallic.A new tetragonal phase of LunSnl0 is obtained from high temperature reaction of the pure elements in a welded tantalum tube. Its crystal structure was established by single-crystal X-ray diffraction. Lu11Sn10 crystallizes in the tetragonal space group 14/mmm （No. 139） with a = 11.2953（18）, c = 16.424（4） A, V= 2095.5（7）A3, Z= 4, Mr = 3111.57, Dc = 9.863 g/cm^3, p = 62.897 -1 mm , F（000） = 5124, and the final R = 0.0348 and wR = 0.0894 for 706 observed reflections with 1 〉 2σ（I）. The structure of LullSnl0 may be derived from the HonGel0 structural type. It is isostructural with DyllSn10, featuring a three-dimensional （3D） framework composed of [Sn4] squares and [Sn2] dimers interlinked via Sn-Sn bonds with two types of one-dimensional （1D） tunnels along the c-axis, which are occupied by isolated Sn atoms, [Sn2] dimers and all the Lu atoms Band structure calculation based on density functional theory method indicates that LUllSn10 is metallic.

关 键 词：INTERMETALLIC high-temperature solid-state reaction crystal structure STANNIDE 

分 类 号：TG111[金属学及工艺—物理冶金]