Information card for entry 4030270

Structure parameters

• Formula: Ba F12 Fe4 Na2
• Calculated formula: Ba F12 Fe4 Na1.998
• Title of publication: Crystal structure of Na2BaFe4F12 : a new ordered perovskite-like fluoride
• Authors of publication: Darriet, J.; Mayorga, S. G.; Tressaud, A.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1990
• Journal volume: 27
• Pages of publication: 783 - 790
• a: 8.075 ± 0.002 Å
• b: 8.075 ± 0.002 Å
• c: 8.075 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 526.5 ± 0.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No