Information card for entry 7032207

Structure parameters

• Common name: ellestadite
• Chemical name: ellestadite
• Formula: Ca9.82 Cl1.64 O24 S3 Si3
• Calculated formula: Ca9.8328 Cl1.664 O24 S3 Si3
• Title of publication: Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.
• Authors of publication: Fang, Y. N.; Ritter, Clemens; White, T. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16031 - 16043
• a: 9.66912 ± 0.00035 Å
• b: 9.66912 ± 0.00035 Å
• c: 6.85317 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 554.88 ± 0.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor R(I) for significantly intense reflections: 0.032
• Goodness-of-fit parameter for all reflections: 0.77
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.38994 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No