Information card for entry 2019423

Structure parameters

• Chemical name: Dicaesium monohydrogen phosphate(V) dihydrate
• Formula: Cs2 H5 O6 P
• Calculated formula: Cs2 H5 O6 P
• SMILES: [Cs+].[O-]P(=O)(O)[O-].[Cs+].O.O
• Title of publication: The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)
• Authors of publication: Stöger, Berthold; Weil, Matthias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 7 - 11
• a: 7.4764 ± 0.0005 Å
• b: 14.1898 ± 0.001 Å
• c: 7.9535 ± 0.0006 Å
• α: 90°
• β: 116.88 ± 0.002°
• γ: 90°
• Cell volume: 752.61 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.022
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No