Information card for entry 2108554

Structure parameters

• Common name: Caesium manganese borophosphate hydrate
• Chemical name: Caesium Diaquamanganese (II,III) Borodiphosphate Hydrate
• Formula: B Cs0.51 H4.9 Mn1.17 O10.45 P2
• Calculated formula: B Cs0.516 H4 Mn1.166 O10.45 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: 9.6292 ± 0.0003 Å
• b: 9.6292 ± 0.0003 Å
• c: 15.8051 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1269.14 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes