Electron-Deficient Telluride Cs3Cu20Te13 with Sodalite-Type Network: Syntheses, Structures, and Physical Properties
收藏Figshare2016-02-17 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Electron_Deficient_Telluride_Cs_sub_3_sub_Cu_sub_20_sub_Te_sub_13_sub_with_Sodalite_Type_Network_Syntheses_Structures_and_Physical_Properties/2287327
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The first sodalite-type telluride, Cs3Cu20Te13, has been successfully synthesized by solid-state reactions. The single-crystal X-ray diffraction data reveal its cubic symmetry and lattice parameters of a = 14.7557(6) Å, V = 3212.8(2) Å3, and Z = 4. The three-dimensional network is constructed by (CuTe)12 tetrakaidecahedra centered by different guest species (either a Cs+ or a Te2–@Cu8 cube) extending in a 2 × 2 × 2 supercell with respect to the conventional sodalite. Density functional theory analysis uncovers the unique feature of the p-type metallic sodalite framework accommodating anionic guest species, which agrees well with the experimental metallic electrical conductivity and Pauli paramagnetism.
创建时间：
2016-02-17
