Information card for entry 7709808

Structure parameters

• Formula: Ca3.01 O8 V2
• Calculated formula: Ca3.00629 O8 V2
• Title of publication: Revealing the peculiar local behavior of manganese and cobalt in diffusion-doped сalcium orthovanadate Ca3(VO4)2
• Authors of publication: Kuzmicheva, Galina; Ivleva, Liudmila; Kaurova, Irina; Khramov, Evgeny; Lazarenko, Vladimir; Rybakov, Victor Borisovich; Svetogorov, Roman; Doroshenko, M. E.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.632 ± 0.0002 Å
• b: 10.632 ± 0.0002 Å
• c: 37.386 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3659.9 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7532 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No