Information card for entry 2108349

Structure parameters

• Mineral name: aravaite
• Formula: C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6
• Calculated formula: C0.92 Ba2 Ca17.622 F3.456 Na0.378 O39.72 P2.96 Si6
• Title of publication: Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers
• Authors of publication: Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 492 - 501
• a: 7.1255 ± 0.00011 Å
• b: 7.1255 ± 0.00011 Å
• c: 66.2902 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2914.81 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for significantly intense reflections: 3.81
• Goodness-of-fit parameter for all reflections included in the refinement: 3.6
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.70848 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes