Germanium selenophosphates: The incommensurately modulated 1/[Ge4-xPxSe 12 4-] and the molecular [Ge2P 2Se14]6-

Collin D. Morris, Christos D. Malliakas, Mercouri G Kanatzidis

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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 languageEnglish
Pages (from-to)10241-10248
Number of pages8
JournalInorganic Chemistry
Volume50
Issue number20
DOIs
Publication statusPublished - Oct 17 2011

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Germanium
Lattice constants
Anions
lattice parameters
germanium
anions
tetrahedrons
Energy gap
examination
Single crystals
Annealing
Semiconductor materials
Fluxes
Decomposition
decomposition
annealing
single crystals
selenophosphate

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 journalArticle

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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) {\AA}, b = 13.489(1) {\AA}, c = 6.3904(6) {\AA}, 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) {\AA}, b = 9.707(1){\AA}, c = 11.987(1){\AA}, 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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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.

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