Multinary Selenides with Unusual Coordination Environment of Bismuth
New multinary selenides Ae3SnPn2Se8 (Ae = Sr, Ba; Pn = Sb, Bi), Sr8.01Ge2.04Bi7.95Se24, and Sr8YGe2Bi7Se24 were synthesized by solid-state reaction, and their structures were determined by single-crystal X-ray diffraction. These compounds crystallize in orthorhombic space group Pnma (no. 62) for Ae3...
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Published in | Inorganic chemistry Vol. 51; no. 24; pp. 13328 - 13333 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
United States
American Chemical Society
17.12.2012
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Online Access | Get full text |
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Summary: | New multinary selenides Ae3SnPn2Se8 (Ae = Sr, Ba; Pn = Sb, Bi), Sr8.01Ge2.04Bi7.95Se24, and Sr8YGe2Bi7Se24 were synthesized by solid-state reaction, and their structures were determined by single-crystal X-ray diffraction. These compounds crystallize in orthorhombic space group Pnma (no. 62) for Ae3SnPn2Se8 (Ae = Sr, Ba; Pn = Sb, Bi) and in Pna21 (no. 33) for Sr8.01Ge2.04Bi7.95Se24 and Sr8YGe2Bi7Se24. The structures feature one-dimensional corner sharing tetrahedral ∞ 1[MSe3] units, and one-dimensional edge sharing octahedral ∞ 1[M4Se10], packed with the alkaline earth or rare earth cations. Sr8.01Ge2.04Bi7.95Se24 and Sr8YGe2Bi7Se24 contain a triple cell superlattice structure derived from a special arrangement of Bi and Ge in the tetrahedrally coordinated ∞ 1[MSe3] chain. Diffuse reflectance spectra and electronic resistivity measurements indicate semiconducting behaviors; the Sr8YGe2Bi7Se24 Seebeck coefficient is −180 μV/K at 303 K. Electronic structure calculations confirm that the electron count for Sr8YGe2Bi7Se24 is optimal for interatomic bonding in the ionic network. |
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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0020-1669 1520-510X |
DOI: | 10.1021/ic302027b |