Information card for entry 2108555

Structure parameters

• Common name: Caesium manganese borophosphate hydroxide
• Chemical name: Caesium manganese (III) Borodiphosphate Hydroxide
• Formula: B Cs H Mn O9 P2
• Calculated formula: B Cs H Mn O9 P2
• Title of publication: Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties
• Authors of publication: Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 9.1494 ± 0.0003 Å
• b: 8.6991 ± 0.0002 Å
• c: 9.6413 ± 0.0003 Å
• α: 90°
• β: 100.141 ± 0.002°
• γ: 90°
• Cell volume: 755.38 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes