Information card for entry 7245327

Structure parameters

• Formula: Ba H8 O14 P2 V2
• Calculated formula: Ba H8 O14 P2 V2
• Title of publication: Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system
• Authors of publication: Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 6.3867 ± 0.0008 Å
• b: 12.7855 ± 0.0016 Å
• c: 6.3889 ± 0.0008 Å
• α: 90°
• β: 90.165 ± 0.001°
• γ: 90°
• Cell volume: 521.7 ± 0.11 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No