Journal
INORGANIC CHEMISTRY
Volume 53, Issue 11, Pages 5575-5580Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic500291v
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Funding
- National Natural Science Foundation of China [20973175, 21233009]
- NSF of Fujian Province [2011J05036]
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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) angstrom, V = 3212.8(2) angstrom(3), and Z = 4. The three-dimensional network is constructed by (CuTe)(12) tetrakaidecahedra centered by different guest species (either a Cs+ or a Te2-@Cu-8 cube) extending in a 2 X 2 x 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.
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