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Synthesis and Structure of BaPtIn3 and BaTl0.63In3.33. Two Contrasting Examples of Preferential Site Occupation in BaAl4‐Type Structures
Authors:Andriy Palasyuk  John D. Corbett Prof. Dr.
Affiliation:1. Ames, Iowa/USA, Iowa State University, Ames Laboratory – DOE and Department of Chemistry;2. Ames, Iowa/USA, Iowa State University, Ames Laboratory – DOE and Department of Chemistry353 Spedding Hall, Iowa State University, Ames, IA 50011/USA, Fax : +515 294‐5718
Abstract:The title compounds have been synthesised by high temperature means and characterized by single crystal X‐ray diffraction analysis. The compounds crystallize in the tetragonal structure type of BaAl4, I4/mmm, Z = 2 (a = 4.8130(7), 5.0196(8) Å; c = 11.669(2), 11.900(3) Å for BaPtIn3 and BaTl0.63In3.37, respectively).Platinum and thallium randomly substitute for 50 % of the In in the apical 4e and for 30 % in the basal 4d positions in the two networks, respectively. Consistent with both size and relative electronegativity factors, the basal positions in BaAl4‐type structure are appropriate for substitution by dimensionally and chemically similar atoms (Tl), which is different from the apical sites in which electronegativities or bond strengths are more important (Pt).
Keywords:Polarintermetallics  Crystal chemistry  Metal substitution reactions  Structure  Bonding
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