Information card for entry 7117914

Structure parameters

• Formula: F4 Mo Na2 O2
• Calculated formula: F4 Mo Na2 O2
• SMILES: F[Mo](F)(F)(F)([O-])[O-].[Na+].[Na+]
• Title of publication: Na2MoO2-deltaF4+delta - a perovskite with a unique combination of atomic orderings and octahedral tilts
• Authors of publication: Hajime Ishikawa; Irene Munao; Bela E. Bode; Zenji Hiroi; Philip Lightfoot
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15469
• a: 5.48 ± 0.0011 Å
• b: 5.701 ± 0.007 Å
• c: 16.319 ± 0.003 Å
• α: 90°
• β: 91.316 ± 0.008°
• γ: 90°
• Cell volume: 509.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• 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: 0.0153
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No