Information card for entry 7719769

Structure parameters

• Formula: Cu1.5 Mo0.44 O11 V3.57
• Calculated formula: Cu1.506 Mo0.434 O11 V3.566
• Title of publication: Interplay of dual-site metal disorder on the thermodynamic stability and electronic structures of Cu(I)-containing molybdovanadate and tungstovanadate compounds.
• Authors of publication: Mongkhonratanachai, Machima; Jana, Subhendu; Maggard, Paul A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 17102 - 17111
• a: 15.3222 ± 0.0009 Å
• b: 3.6326 ± 0.0002 Å
• c: 7.3249 ± 0.0004 Å
• α: 90°
• β: 104.843 ± 0.005°
• γ: 90°
• Cell volume: 394.1 ± 0.04 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No