Abstract
The new polyselenide Ba 2SnSe 5 was prepared from the elements under exclusion of air at temperatures between 650 and 750 °C. Ba 2SnSe 5 crystallizes in the orthorhombic space group P2 12 12 1, with the lattice parameters of a = 12.3572 ( 8 ) Å , b = 17.235 ( 1 ) Å , c = 18.134 ( 1 ) Å , V = 3862.1 ( 4 ) Å 3 ( Z = 16 ). Its structure comprises nonlinear Se 3 2 - trimers, isolated SnSe 4 tetrahedra and trimeric Sn 3Se 10 units, the latter consisting of a central (distorted) SnSe 6 octahedron sharing two opposite basal edges with two SnSe 4 tetrahedra. The structural differences to its Sr and Te analogs, Sr 2SnSe 5 and both modifications of Ba 2SnTe 5, are intriguing, and illustrated in detail in this article. Ba 2SnSe 5 is a dark brown semiconductor with a computed band gap of 1.2 eV.
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