Information card for entry 2232239

Structure parameters

• Chemical name: tricalcium oxynitride silicate
• Formula: Ca2.894 N1.76 O4.24 Si2
• Calculated formula: Ca2.894 N1.76 O4.24 Si2
• Title of publication: A cubic calcium oxynitrido-silicate, Ca~2.89~Si~2~N~1.76~O~4.24~
• Authors of publication: Sharafat, Ali; Berastegui, Pedro; Esmaeilzadeh, Saeid; Eriksson, Lars; Grins, Jekabs
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: i66
• a: 15.0626 ± 0.0001 Å
• b: 15.0626 ± 0.0001 Å
• c: 15.0626 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3417.43 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes