Information card for entry 1573900

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: 7.056 ± 0.001 Å
• b: 25.682 ± 0.002 Å
• c: 8.385 ± 0.002 Å
• α: 90°
• β: 114.86 ± 0.02°
• γ: 90°
• Cell volume: 1378.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 5000000 kPa
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41106 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No