Information card for entry 4001237

Structure parameters

• Formula: As2 O9 Pb2 V
• Calculated formula: As2 O9 Pb2 V
• Title of publication: Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9and Pb2As2VO9
• Authors of publication: Mentré, O.; Koo, H.-J.; Whangbo, M.-H.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 6929
• a: 7.5647 ± 0.0017 Å
• b: 16.473 ± 0.004 Å
• c: 6.9557 ± 0.0016 Å
• α: 90°
• β: 120.07 ± 0.004°
• γ: 90°
• Cell volume: 750.1 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for significantly intense reflections: 2.98
• Goodness-of-fit parameter for all reflections included in the refinement: 3.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No