Binary Lithium Indides Li22–xIn8+x (x = 0.1), Li11–xIn4+x (x = 1.05), and Li10–xIn2+x (x = 1.59) with Clusters

Authors

  • Ihor Chumak,

    1. Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein- Leopoldshafen, Germany
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  • Volodymyr Pavlyuk,

    Corresponding author
    1. Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla and Mefodia str. 6, 79005 Lviv, Ukraine, http://chem.lnu.edu.ua/knh/index.htm
    2. Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42200 Czestochowa, Poland
    • Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla and Mefodia str. 6, 79005 Lviv, Ukraine, http://chem.lnu.edu.ua/knh/index.htm

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  • Helmut Ehrenberg

    1. Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein- Leopoldshafen, Germany
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Abstract

The synthesis, structural characterization, and chemical bonding peculiarities of three new binary Li–In intermetallides are reported. The crystal structures of these compounds were determined by single-crystal X-ray diffraction analysis. The compositions obtained after structure refinements were Li22–xIn8+x (x = 0.1) [new structure type, monoclinic crystal system, Pearson symbol mS30, space group C2/m, a = 14.156(3), b = 4.729(1), c = 8.617(2) Å, β = 105.89(1)°, R1 = 0.0279, wR2 = 0.0583 for 669 reflections], Li11–xIn4+x (x = 1.05) [new structure type, trigonal, Pequation imagem1, hP15, a = 4.7480(7), c = 14.283(3) Å, R1 = 0.0323, wR2 = 0.0741 for 277 reflections], and Li10–xIn2+x (x = 1.59) [new structure type, hexagonal, P6/mmm, hP12, a = 4.6975(7), c = 11.526(2) Å, R1 = 0.0680, wR2 = 0.1358 for 127 reflections]. The Li22–xIn8+x (x = 0.1) structure is related to the structure of lithium (W-type). The structure of Li11–xIn4+x (x = 1.05) can be described as a derivative of the CdI2 type. Li10–xIn2+x (x = 1.59) can be derived from the Li2Pt structure. [In2@Li20] clusters composed of 20 lithium atoms, which surround a In–In pair, are detected in the structure of all three investigated compounds. TB-LMTO (Tight-Binding Linear Muffin-Tin Orbital) calculations indicate strong covalent In–In interactions and the presence of [In2@Li20] clusters in these new binary indides.

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