Yb5Ni4Sn10 and Yb7Ni4Sn13: New polar intermetallics with 3D framework structures |
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Authors: | Xiao-Wu Lei Zhong-Ming Sun Long-Hua Li Guo-Hua Zhong Jiang-Gao Mao |
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Affiliation: | a State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, PR China b Graduate School of the Chinese Academy of Sciences, Beijing 100039, PR China |
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Abstract: | The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb5Ni4Sn10 adopts the Sc5Co4Si10 structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4) Å, c=4.492 (2) Å, V=853.7(5) Å3, and Z=2. Yb7Ni4Sn13 is isostructural with Yb7Co4InGe12 and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6) Å, c=4.5318(4) Å, V=562.69(7) Å3, and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. |
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Keywords: | Polar intermetallics Solid-state reactions Crystal structures Stannides Electronic structure calculations |
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