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Binary Lithium Indides Li 22– x In 8+x ( x = 0.1), Li 11– x In 4+ x ( x = 1.05), and Li 10– x In 2+ x ( x = 1.59) with Clusters
Author(s) -
Chumak Ihor,
Pavlyuk Volodymyr,
Ehrenberg Helmut
Publication year - 2014
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201301444
Subject(s) - chemistry , monoclinic crystal system , crystallography , crystal structure , lithium (medication) , tin , x ray crystallography , type (biology) , diffraction , physics , medicine , ecology , organic chemistry , optics , biology , endocrinology
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 Li 22– x In 8+ 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], Li 11– x In 4+ x ( x = 1.05) [new structure type, trigonal, P $\bar {3}$ m1 , hP15 , a = 4.7480(7), c = 14.283(3) Å, R1 = 0.0323, wR2 = 0.0741 for 277 reflections], and Li 10– x In 2+ 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 Li 22– x In 8+ x ( x = 0.1) structure is related to the structure of lithium (W‐type). The structure of Li 11– x In 4+ x ( x = 1.05) can be described as a derivative of the CdI 2 type. Li 10– x In 2+ x ( x = 1.59) can be derived from the Li 2 Pt structure. [In 2 @Li 20 ] 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 [In 2 @Li 20 ] clusters in these new binary indides.