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2004
Structure
D 2000
51- 012
Electronic Structure and Physical Properties of the Semiconducting Polytelluride
Ba2SnTe5 with a Unique Te45 Unit. — A new, black modification of the title compound is synthesized by reacting a stoichiometric mixture of the elements at 750 °C.
As revealed by single crystal XRD, Ba2SnTe5 crystallizes in the monoclinic space group
P21/c with Z = 12 in a unique structure type with SnTe4 tetrahedra, SnTe5 trigonal bipyramids, and nonlinear Te45 units while the earlier reported bronze-colored modification (orthorhombic, space group Pnma) is formed by SnTe4 tetrahedra and dimeric
Te22 units. DFT electronic structure calculations, Seebeck coefficient, and electrical
conductivity measurements predict the new modification to be a small band gap
semiconductor. — (ASSOUD, A.; DERAKHSHAN, S.; SOHEILNIA, N.;
KLEINKE*, H.; Chem. Mater. 16 (2004) 21, 4193-4198; Dep. Chem., Univ.
Waterloo, Waterloo, Ont. N2L 3G1, Can.; Eng.) — W. Pewestorf
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