Information card for entry 2014612

Structure parameters

• Common name: calcium nitride fluoride
• Chemical name: dicalcium nitride fluoride
• Formula: Ca2 F N
• Calculated formula: Ca2 F0.998 N
• Title of publication: Doubled-cubic Ca~2~NF
• Authors of publication: Jack, Danielle R.; Zeller, Matthias; Wagner, Timothy R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: i6 - i8
• a: 10.0215 ± 0.0008 Å
• b: 10.0215 ± 0.0008 Å
• c: 10.0215 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1006.46 ± 0.14 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: 0.0291
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes