Abstract
The new germanium selenophosphates K4Ge4-xP xSe12 (1) and Rb6Ge2P 2Se14 (2) are reported. The former is a one-dimensional metastable compound synthesized using the polychalcogenide flux method that crystallizes in the monoclinic space group P21/c with lattice parameters a = 6.7388(7) Å, b = 13.489(1) Å, c = 6.3904(6) Å, and β = 91.025(8)°. At a glance, a mixed Ge4+/P5+ tetrahedral site and disordered Se position are found among the corner sharing tetrahedra that make up the polymeric anion. After careful examination, the structure was found to be incommensurately modulated and a single q-vector of q = 0.4442(6)a* + 0.3407(6)c* was determined after annealing single crystals below their decomposition point for 30d. The latter compound contains the new discrete molecular anion [Ge2P2Se 14]6- and crystallizes in P1̄ with lattice parameters a = 7.2463(8) Å, b = 9.707(1)Å, c = 11.987(1)Å, α = 79.516(9)°, β = 89.524(9)°, and γ = 68.281(9)°. Both compounds are semiconductors with band gaps of 1 and 2 being 1.9 eV and 2.2 eV, respectively.
| Original language | English |
|---|---|
| Pages (from-to) | 10241-10248 |
| Number of pages | 8 |
| Journal | Inorganic Chemistry |
| Volume | 50 |
| Issue number | 20 |
| DOIs | |
| Publication status | Published - Oct 17 2011 |
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ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry
Cite this
Germanium selenophosphates : The incommensurately modulated 1/∞[Ge4-xPxSe 12 4-] and the molecular [Ge2P 2Se14]6-. / Morris, Collin D.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
In: Inorganic Chemistry, Vol. 50, No. 20, 17.10.2011, p. 10241-10248.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Germanium selenophosphates
T2 - The incommensurately modulated 1/∞[Ge4-xPxSe 12 4-] and the molecular [Ge2P 2Se14]6-
AU - Morris, Collin D.
AU - Malliakas, Christos D.
AU - Kanatzidis, Mercouri G
PY - 2011/10/17
Y1 - 2011/10/17
N2 - The new germanium selenophosphates K4Ge4-xP xSe12 (1) and Rb6Ge2P 2Se14 (2) are reported. The former is a one-dimensional metastable compound synthesized using the polychalcogenide flux method that crystallizes in the monoclinic space group P21/c with lattice parameters a = 6.7388(7) Å, b = 13.489(1) Å, c = 6.3904(6) Å, and β = 91.025(8)°. At a glance, a mixed Ge4+/P5+ tetrahedral site and disordered Se position are found among the corner sharing tetrahedra that make up the polymeric anion. After careful examination, the structure was found to be incommensurately modulated and a single q-vector of q = 0.4442(6)a* + 0.3407(6)c* was determined after annealing single crystals below their decomposition point for 30d. The latter compound contains the new discrete molecular anion [Ge2P2Se 14]6- and crystallizes in P1̄ with lattice parameters a = 7.2463(8) Å, b = 9.707(1)Å, c = 11.987(1)Å, α = 79.516(9)°, β = 89.524(9)°, and γ = 68.281(9)°. Both compounds are semiconductors with band gaps of 1 and 2 being 1.9 eV and 2.2 eV, respectively.
AB - The new germanium selenophosphates K4Ge4-xP xSe12 (1) and Rb6Ge2P 2Se14 (2) are reported. The former is a one-dimensional metastable compound synthesized using the polychalcogenide flux method that crystallizes in the monoclinic space group P21/c with lattice parameters a = 6.7388(7) Å, b = 13.489(1) Å, c = 6.3904(6) Å, and β = 91.025(8)°. At a glance, a mixed Ge4+/P5+ tetrahedral site and disordered Se position are found among the corner sharing tetrahedra that make up the polymeric anion. After careful examination, the structure was found to be incommensurately modulated and a single q-vector of q = 0.4442(6)a* + 0.3407(6)c* was determined after annealing single crystals below their decomposition point for 30d. The latter compound contains the new discrete molecular anion [Ge2P2Se 14]6- and crystallizes in P1̄ with lattice parameters a = 7.2463(8) Å, b = 9.707(1)Å, c = 11.987(1)Å, α = 79.516(9)°, β = 89.524(9)°, and γ = 68.281(9)°. Both compounds are semiconductors with band gaps of 1 and 2 being 1.9 eV and 2.2 eV, respectively.
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U2 - 10.1021/ic201249w
DO - 10.1021/ic201249w
M3 - Article
VL - 50
SP - 10241
EP - 10248
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 20
ER -