Information card for entry 7251943

Structure parameters

• Formula: Br Cs Cu5 O10 V2
• Calculated formula: Br Cs1.012 Cu5 O10 V2
• Title of publication: Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)
• Authors of publication: Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 6.3867 ± 0.0001 Å
• b: 6.3867 ± 0.0001 Å
• c: 8.3861 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 296.24 ± 0.01 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No