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 |
|---|---|
| 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 |
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ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry
- Materials Chemistry
Cite this
Crystal and electronic structure of a quaternary layered compound from the k-in-ge-sb system : K9in9gesb22. / Shreeve-Keyer, Julie L.; Haushalter, Robert C.; Seo, Dong Kyun; Whangbo, Myung Hwan.
In: Journal of Solid State Chemistry, Vol. 122, No. 1, 15.02.1996, p. 239-244.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Crystal and electronic structure of a quaternary layered compound from the k-in-ge-sb system
T2 - K9in9gesb22
AU - Shreeve-Keyer, Julie L.
AU - Haushalter, Robert C.
AU - Seo, Dong Kyun
AU - Whangbo, Myung Hwan
PY - 1996/2/15
Y1 - 1996/2/15
N2 - 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.
AB - 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.
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U2 - 10.1006/jssc.1996.0107
DO - 10.1006/jssc.1996.0107
M3 - Article
VL - 122
SP - 239
EP - 244
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
IS - 1
ER -