Information card for entry 2103001

Structure parameters

• Formula: Ca O7 V3
• Calculated formula: Ca O7 V3
• Title of publication: Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure
• Authors of publication: Prinz, Sebastian; Sparta, Karine M.; Roth, Georg
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 836 - 842
• a: 10.437 ± 0.003 Å
• b: 10.367 ± 0.002 Å
• c: 5.2947 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 572.9 ± 0.3 ų
• Cell temperature: 275 ± 1 K
• Ambient diffraction temperature: 275 ± 1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No