Information card for entry 3500056

Structure parameters

• Formula: H12 Ni12 O38 P8
• Calculated formula: Ni12 O38 P8
• Title of publication: Ni12(HPO4)6(PO4)2(OH)6 P63mc related to COD 4313804 and to COD 1000115 and dumortierite
• Authors of publication: Armel Le Bail
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 12.4544 ± 0.0004 Å
• b: 12.4544 ± 0.0004 Å
• c: 4.94856 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 664.75 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor R(I) for significantly intense reflections: 3.0816
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No