Information card for entry 4000871

Structure parameters

• Formula: Li3 Mo3 O12 V
• Calculated formula: Li2.96 Mo3 O12 V1.044
• Title of publication: Li3V(MoO4)3: A New Material for Both Li Extraction and Insertion
• Authors of publication: Mikhailova, D.; Sarapulova, A.; Voss, A.; Thomas, A.; Oswald, S.; Gruner, W.; Trots, D. M.; Bramnik, N. N.; Ehrenberg, H.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 3165
• a: 5.0575 ± 0.0004 Å
• b: 10.4562 ± 0.001 Å
• c: 17.5105 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 925.99 ± 0.15 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No