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Title: Synthesis, structure, and properties of four ternary compounds: CaSrTt, Tt=Si, Ge, Sn, Pb

The title compounds were synthesized and characterized by structural measurements and electronic structure calculations. Single-crystal X-ray diffraction analyses established that they all have the orthorhombic inverse-PbCl{sub 2}-type structure (Pnma, Z=4, a=8.108(2), 8.124(2), 8.421(2), 8.509(2)A; b=4.944(1), 4.949(1), 5.168(1), 5.189(1)A; c=9.170(2), 9.184(2), 9.685(2), 9.740(2)A, respectively). The tetrel (Tt) atoms are situated in tricapped trigonal prisms of ordered Sr and Ca atoms in which the smaller Ca atoms play a distinctive role. The structure is distinguishable from the Co{sub 2}Si type by its more nearly ideal 6+3 (TCTP) environment about Tt rather than a higher coordination by cations. Other representations of the two structural types are also considered. Electronic band structure calculations suggest that the compounds are semiconductors, in agreement with literature data on their Ae{sub 2}Tt analogues.
Authors:
 [1] ;  [2]
  1. Ames Laboratory, Department of Chemistry, Iowa State University, Ames, Iowa 50010 (United States)
  2. Ames Laboratory, Department of Chemistry, Iowa State University, Ames, Iowa 50010 (United States). E-mail: jcorbett@iastate.edu
Publication Date:
OSTI Identifier:
20784926
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 179; Journal Issue: 3; Other Information: DOI: 10.1016/j.jssc.2005.12.006; PII: S0022-4596(05)00585-2; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CALCIUM COMPOUNDS; ELECTRONIC STRUCTURE; GERMANIDES; LEAD COMPOUNDS; MONOCRYSTALS; ORTHORHOMBIC LATTICES; SEMICONDUCTOR MATERIALS; SILICIDES; STRONTIUM COMPOUNDS; SYNTHESIS; TIN COMPOUNDS; X-RAY DIFFRACTION