Information card for entry 8102931

Structure parameters

• Formula: B2 Co0.25 H8 Mg0.75 O13 P2
• Calculated formula: B2 Co0.233 H8 Mg0.767 O13 P2
• Title of publication: Crystal structure of diaqua(magnesium,cobalt) bis(hydroxyboro)bisphosphate monohydrate, Mg~1-x~Co~x~(H~2~O)~2~[B~2~P~2~O~8~(OH)~2~] · H~2~O (x ≈ 0.25)
• Authors of publication: Ewald, B.; Öztan, Y.; Prots, Yu.; Kniep, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 535 - 536
• a: 7.7591 ± 0.0005 Å
• b: 14.654 ± 0.001 Å
• c: 8.2382 ± 0.0005 Å
• α: 90°
• β: 90.26 ± 0.01°
• γ: 90°
• Cell volume: 936.69 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295.15 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: 0.049
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No