Information card for entry 7058369

Structure parameters

• Formula: Ca F K2 O4 P
• Calculated formula: Ca F K2 O4 P
• Title of publication: Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A2MPO4F (A = K, Rb; M = Ba, Ca)
• Authors of publication: Chai, Kun; Cheng, Shichao; Li, Hongyi; Dai, Bin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7839
• a: 12.661 ± 0.003 Å
• b: 5.8589 ± 0.0016 Å
• c: 7.325 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 543.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No