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Tt‐Tt (Tt = Si,Ge) Dumb‐Bell Structures at Different Valence Electron Concentrations: Ln2MgSi2 (Ln = La,Ce), Yb2Li0.5Ge2, and Yb1.75Mg0.75Si2
Authors:Qinxing Xie  Christof Kubata  Michael Wörle  Reinhard Nesper Prof Dr
Institution:1. Zürich / Switzerland, Laboratorium für Anorganische Chemie, ETH Zürich;2. Current address: Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo ON N2L 3G1, Canada;3. Zürich / Switzerland, Collegium Helveticum, Common Institution of ETH and University of Zürich
Abstract:The isostructural compounds Yb2MgSi2, La2.05Mg0.95Si2, and Ce2.05Mg0.95Si2, as well as Yb2Li0.5Ge2 and Yb1.75Mg0.75Si2, respectively, were synthesized from stoichiometric mixtures of the corresponding elements in sealed Nb‐ ampoules under argon atmosphere. The structures were determined by single crystal X‐ray diffraction: Yb2MgSi2 (P4/mbm (No. 127), a = 7.056(1), c = 4.130(1) Å3, Z = 2), La2.05Mg0.95Si2 (P4/mbm, a = 7.544(1), c = 4.464(1) Å3, Z = 2), and Ce2.05Mg0.95Si2 (P4/mbm, a = 7.425(1), c = 4.370(1) Å3, Z = 2), Yb2Li0.5Ge2 (Pnma (No. 62), a = 7.0601(6), b = 14.628(1), c = 7.6160(7) Å, V = 786.5Å3, Z = 4), Yb1.75Mg0.75Si2 (Pnma, a = 6.9796(1), b = 14.4009(1), c = 7.5357(1) Å, V = 757.43(2) Å3, Z = 4). All compounds contain exclusively Tt‐Tt dumb‐bells (Tt = Si, Ge). The Si‐Si Zintl anions exhibit only very small variations of bond lengths which seem to be more due to cation matrix effects than to effective bond orders.
Keywords:Dumb‐bell  Electron localization function (ELF)  ZintlKlemm concept  Zintl phases
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