Yb5Ni4Sn10 and Yb7Ni4Sn13: New polar intermetallics with 3D framework structures
作者： Xiao-Wu Lei , Zhong-Ming Sun , Long-Hua Li , Guo-Hua Zhong , Chun-Li Hu
DOI: 10.1016/J.JSSC.2010.02.004
关键词: Crystallography 、 Intermetallic 、 Isostructural 、 Density functional theory 、 Magnetic susceptibility 、 Chemistry 、 Zintl phase 、 Tetragonal crystal system 、 Crystal structure 、 Electronic structure
摘要: Abstract The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized single-crystal X-ray diffraction studies. Yb 5 Ni 4 Sn 10 adopts Sc Co Si structure type crystallizes in tetragonal space group P /mbm (No. 127) with cell parameters a =13.785(4) A, c =4.492 (2) A, V=853.7(5) A 3 , Z =2. 7 13 is isostructural InGe 12 /m 83) =11.1429(6) A, =4.5318(4) A, V=562.69(7) A =1. Both structures feature three-dimensional (3D) frameworks based on three different types one-dimensional (1D) channels, which are occupied atoms. Electronic calculations density functional theory (DFT) indicate that both metallic. These results agreement those from temperature-dependent resistivity magnetic susceptibility measurements.
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