Citation: LEI Xiao-Wu, YUE Cheng-Yang, ZHAI Xiu-Rong, YIN Ling, LIU Rui-Qiu. Synthesis and Crystal Structure of SmCu_7.73In_3.27: a New 3D Framework Based on [Cu₅In₄M₄] (M=Cu/In) Cluster[J]. Chinese Journal of Structural Chemistry, ;2015, 34(2): 272-278. doi: 10.14102/j.cnki.0254-5861.2011-0355 shu

Synthesis and Crystal Structure of SmCu_7.73In_3.27: a New 3D Framework Based on [Cu₅In₄M₄] (M=Cu/In) Cluster

1.
Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155, China

Received Date: 28 April 2014
Available Online: 5 December 2014
Fund Project:

A new intermetallic compound, SmCu_7.73In_3.27, has been synthesized by solid-state reaction of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction study. SmCu_7.73In_3.27 crystallizes in tetragonal space group P4/mbm with a=8.6213(4), c=10.2538(9), V=762.13(8)Å³, Z=4, M_r=1018.90, D_c=8.880 g/cm³, μ=38.244 mm^-1, F(000)=1789, and the final R=0.0374 and wR=0.0836 for 514 observed reflections with I>2σ(I). The structure of SmCu_7.69In_3.31 belongs to a new structure type and features a three-dimensional (3D) [Cu₅In₂M₄] (M=Cu/In) framework composed of [Cu₅In₄M₄] clusters interconnected via sharing In atoms as well as Cu-In and In-In bonds. The Sm atoms are located in the one-dimensional (1D) tunnels along the c-axis. The structural relationship of the title compound with other similar Sm-Cu-In phases was also studied. Band structure calculations based on Density Functional Theory (DFT) method indicate that SmCu_7.69In_3.31 is metallic.
- intermetallic,
- solid state reaction,
- indides,
- crystal structure
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