Information card for entry 4326520

Structure parameters

• Formula: Ge2 P2 Rb6 Se14
• Calculated formula: Ge2 P2 Rb6 Se14
• SMILES: P(=[Se])([Se-])([Se-])[Se][Se][Ge]1([Se-])[Se][Ge]([Se][Se]P(=[Se])([Se-])[Se-])([Se-])[Se]1.[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+]
• 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: 7.2463 ± 0.0008 Å
• b: 9.7071 ± 0.0011 Å
• c: 11.9866 ± 0.0014 Å
• α: 79.516 ± 0.009°
• β: 89.524 ± 0.009°
• γ: 68.281 ± 0.009°
• Cell volume: 768.6 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No