Information card for entry 7251941

Structure parameters

• Formula: Cu5 I K O10 V2
• Calculated formula: Cu5 I K0.997333 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: 11.1026 ± 0.0002 Å
• b: 11.1026 ± 0.0002 Å
• c: 8.3948 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 896.17 ± 0.03 ų
• Cell temperature: 320 ± 0.1 K
• Ambient diffraction temperature: 320 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 157
• Hermann-Mauguin space group symbol: P 3 1 m
• Hall space group symbol: P 3 -2
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No