Information card for entry 2219456

Structure parameters

• Common name: Barium As-apatite
• Chemical name: pentabarium tris(arsenate(V)) chloride
• Formula: As3 Ba5 Cl O12
• Calculated formula: As3 Ba5 Cl O12
• SMILES: [Ba+2].[Ba+2].O=[As]([O-])([O-])[O-].[Ba+2].[Ba+2].[Ba+2].O=[As]([O-])([O-])[O-].[As](=O)([O-])([O-])[O-].[Cl-]
• Title of publication: Rietveld refinement of Ba~5~(AsO~4~)~3~Cl from high-resolution synchrotron data
• Authors of publication: Bell, Anthony M. T.; Henderson, C. Michael B.; Wendlandt, Richard F.; Harrison, Wendy J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: i63 - i64
• a: 10.557 ± 0.0001 Å
• b: 10.557 ± 0.0001 Å
• c: 7.73912 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 746.98 ± 0.01 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.227
• Diffraction radiation wavelength: 0.998043 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No