Information card for entry 1573899

Structure parameters

• Mineral name: Celsian
• Formula: Al2 Ba O8 Si2
• Calculated formula: Al2 Ba O8 Si2
• Title of publication: Crystal structure stability and phase transition of celsian, BaAl2Si2O8, up to 1100 °C / 22 GPa
• Authors of publication: Gorelova, Liudmila; Britvin, Sergey; Krzhizhanovskaya, Maria; Vereshchagin, Oleg; Kasatkin, Anatoly; Krivovichev, Sergey
• Journal of publication: Ceramics International
• Year of publication: 2024
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 54770 - 54777
• a: 7.2091 ± 0.0006 Å
• b: 13.0519 ± 0.0009 Å
• c: 8.5834 ± 0.0007 Å
• α: 90°
• β: 114.311 ± 0.01°
• γ: 90°
• Cell volume: 736.02 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 100000 kPa
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No