Information card for entry 7707809

Structure parameters

• Formula: Ba F4 O4 P2
• Calculated formula: Ba F4 O4 P2
• Title of publication: From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH₄)_<i>n</i>-2AE(PO₂F₂)_<i>n</i> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).
• Authors of publication: Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10206 - 10213
• a: 10.4935 ± 0.0008 Å
• b: 10.4935 ± 0.0008 Å
• c: 26.03 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No