Information card for entry 7721106

Structure parameters

• Formula: B1.5 Ca0.75 H9 Mg1.5 O16.5 P3
• Calculated formula: B1.5 Ca0.75 H9 Mg1.5 O16.5 P3
• Title of publication: Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)
• Authors of publication: Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.4505 ± 0.0007 Å
• b: 9.4505 ± 0.0007 Å
• c: 15.7298 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1216.64 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No