Information card for entry 4327887

Structure parameters

• Formula: Ca2 O15 Se3 V2
• Calculated formula: Ca2 O15 Se3 V2
• Title of publication: New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)
• Authors of publication: Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 609 - 619
• a: 7.827 ± 0.004 Å
• b: 16.764 ± 0.005 Å
• c: 9.679 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1270 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No