Information card for entry 4326519

Structure parameters

• Formula: Ge2.54 K4 P1.46 Se12
• Calculated formula: Ge2.536 K4 P1.464 Se12
• Title of publication: Germanium Selenophosphates: The Incommensurately Modulated 1/\ιnfty[Ge4-xPxSe124-] and the Molecular [Ge2P2Se14]6-
• Authors of publication: Collin D. Morris; Christos D. Malliakas; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10241 - 10248
• a: 6.7388 ± 0.0007 Å
• b: 13.4894 ± 0.0012 Å
• c: 6.3904 ± 0.0006 Å
• α: 90°
• β: 91.025 ± 0.008°
• γ: 90°
• Cell volume: 580.81 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No