Information card for entry 2240310

Structure parameters

• Chemical name: Magnesium copper(II) bis[orthophosphate(V)] monohydrate
• Formula: Cu1.35 H2 Mg1.65 O9 P2
• Calculated formula: Cu1.343 H2 Mg1.657 O9 P2
• Title of publication: Crystal structure of magnesium copper(II) bis[orthophosphate(V)] monohydrate
• Authors of publication: Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 55 - 57
• a: 8.0701 ± 0.0001 Å
• b: 9.8661 ± 0.0002 Å
• c: 8.9944 ± 0.0002 Å
• α: 90°
• β: 115.242 ± 0.001°
• γ: 90°
• Cell volume: 647.76 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes