Abstract
The quaternary Zintl phase material, K9In9GeSb22 (1), has been prepared at 650°C and its structure determined by single crystal X-ray diffraction: triclinic, space group P1̄ with a = 11.62 (1) Å, b = 13.04 (3) Å, c = 11.27 (2) Å, α = 113.5 (2)°, β = 91.7 (1)°, γ = 112.3 (1)°, V = 1415 (4) Å3, and Dcalcd = 4.851 g/cm3 for Z = 2 and R(RW) = 7.9% (8.8%). Antimonide 1 contains layers comprised of indium, germanium, and arsenic separated by K+ cations. The In-Ge-Sb layers in 1 contain In(2-x)GexSb6 (x ≅ 1) dimers with In(Ge)-In(Ge) bonds, InSb4 tetrahedra, and Sb3 trimers, as well as infinite chains with Sb-Sb bonds. There is an unusual metal-metal bonded site in 1, that contains contains a solid solution of 1:1 In and Ge, with an In(Ge)-In(Ge) separation of 2.659 (1) Å. The nature of this experimentally determined solid solution at the M-M bonded site, and its effects on the electronic structure of K9In9GeSb22, was investigated via tight binding calculations.
Original language | English |
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Pages (from-to) | 239-244 |
Number of pages | 6 |
Journal | Journal of Solid State Chemistry |
Volume | 122 |
Issue number | 1 |
DOIs | |
Publication status | Published - Feb 15 1996 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry