Information card for entry 7245326

Structure parameters

• Formula: Ca H8 O14 P2 V2
• Calculated formula: Ca 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: 6.3369 ± 0.0005 Å
• b: 6.341 ± 0.0005 Å
• c: 6.5675 ± 0.0006 Å
• α: 85.841 ± 0.007°
• β: 73.143 ± 0.007°
• γ: 89.946 ± 0.006°
• Cell volume: 251.84 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No