Information card for entry 2018578

Structure parameters

• Chemical name: Potassium calcium diaquacobalt(II) <i>catena</i>-borodiphosphate monohydrate
• Formula: B Ca0.42 Co H6 K0.17 O11 P2
• Calculated formula: B Ca0.418 Co H4 K0.172 O11 P2
• Title of publication: KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes
• Authors of publication: Guesmi, Abderrahmen; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: i55 - i59
• a: 9.472 ± 0.0015 Å
• b: 9.472 ± 0.0015 Å
• c: 15.872 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1233.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes