Information card for entry 1560376

Structure parameters

• Formula: Ca F0.6147 N0.4619
• Calculated formula: Ca F0.612932 N0.462345
• Title of publication: Crystal chemistry of ordered rocksalt-type Ca 2 NF
• Authors of publication: Al-Azzawi, Mohanad; Zeller, Matthias; Li, Dingqiang; Wagner, Timothy R.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 254
• Pages of publication: 126 - 131
• a: 10.0301 ± 0.0005 Å
• b: 10.0301 ± 0.0005 Å
• c: 10.0301 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1009.06 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No