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Author Shreeve-Keyer, J. L. ♦ Haushalter, R. C.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword MATERIALS SCIENCE ♦ CHEMISTRY ♦ POTASSIUM COMPOUNDS ♦ CRYSTAL STRUCTURE ♦ ELECTRONIC STRUCTURE ♦ INDIUM COMPOUNDS ♦ GERMANIUM COMPOUNDS ♦ ANTIMONY COMPOUNDS ♦ TRICLINIC LATTICES ♦ MATHEMATICAL MODELS ♦ SOLID SOLUTIONS
Abstract The quaternary Zintl phase material, K{sub 9}In{sub 9}GeSb{sub 22} (1), has been prepared at 650{degrees}C and its structure determined by single crystal X-ray diffraction: triclinic, space group P1 with {alpha} = 11.62(1) {Angstrom}, b= 13.04 (3) {Angstrom}, c = 11.27 (2) {Angstrom}, {alpha} = 113.5 (2){degrees}, {Beta} = 91.7 (1){degrees}, {gamma} = 112.3 (1){degrees}, V = 1415 (4) {Angstrom}{sup 3}, and D {sub calcd} = 4.851 g/cm{sup 3} for Z = 2 and R(R{sub w}) = 7.9% (8.8%). Antimonide 1 contains layers comprised of indium, germanium, and arsenic separated by K{sup +} cations. The In-Ge-Sb layers in 1 contain In{sub 2-x}Ge{sub x}Sb{sub 6}(x {congruent} 1) dimers with In(Ge)=In(Ge) bonds, InSb{sub 4} tetrahedra, and Sb{sub 3} 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) {Angstrom}. The nature of this experimentally determined solid solution at the M-M bonded site, and its effects on the electronic structure of K{sub 9}In{sub 9}GeSb{sub 22}, was investigated via tight binding calculations.
ISSN 00224596
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-02-15
Publisher Place United States
Journal Journal of Solid State Chemistry
Volume Number 122
Issue Number 1


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