Synthesis, Crystal Structure and Band Structure of EuMg6Sn3.67 |
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Authors: | YUE Cheng-Yang ZHOU Fang-Xia WANG Ming-Feng ZHANG Hui-Ping LEI Xiao-Wu |
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Institution: | Department of Chemistry and Chemical Engineering,Jining University, Qufu, Shandong 273155, China |
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Abstract: | 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), V = 541.88(4)3 , 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 Ⅰ > 2σ(Ⅰ). EuMg6Sn3.67 is closely related to the Ba2Mg12Ge7.33 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. |
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Keywords: | intermetallic stannide crystal structure band structure calculation |
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