Information card for entry 2219401

Structure parameters

• Common name: perovskite
• Chemical name: calcium caesium sodium iron titanium oxide
• Formula: Ca0.96 Ce0.01 Fe0.02 Na0.01 O3 Ti0.98
• Calculated formula: Ca0.951 Ce0.01 Fe0.02 Na0.01 O3 Ti0.977
• Title of publication: Natural perovskite: (Ca^II^~0.95(1)~Ce^III^~0.011(2)~Na^I^~0.010(4)~)(Fe^III^~0.022(2)~Ti^IV^~0.98(1)~)O~3~
• Authors of publication: Gravina, Érica G.; Ayala, José D.; Fernandes, Nelson G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: i65
• a: 5.3818 ± 0.0004 Å
• b: 5.4431 ± 0.0004 Å
• c: 7.645 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 223.95 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes