Information card for entry 4001799

Structure parameters

• Formula: Ba4 Nb2 O9
• Calculated formula: Ba4 Nb2 O9
• Title of publication: Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9
• Authors of publication: Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3154
• a: 12.0872 ± 0.0007 Å
• b: 24.8979 ± 0.0008 Å
• c: 21.0015 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6320.3 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for significantly intense reflections: 3.75
• Goodness-of-fit parameter for all reflections included in the refinement: 3.48
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.2467 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No