Information card for entry 4326252

Structure parameters

• Formula: Mo0.5 O7.25 V1.5 Zr
• Calculated formula: Mo0.5 O7.26 V1.5 Zr
• Title of publication: Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7
• Authors of publication: Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8774 - 8781
• a: 8.9004 ± 0.0005 Å
• b: 8.9004 ± 0.0005 Å
• c: 8.9004 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 705.06 ± 0.07 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No