Information card for entry 7012465

Structure parameters

• Common name: Tri(barium,calcium) tetranitridomolybdate (VI)
• Chemical name: Tri(barium,calcium) tetranitridomolybdate (VI)
• Formula: Ba2.23 Ca0.77 Mo N4
• Calculated formula: Ba2.227 Ca0.773 Mo N4
• Title of publication: Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)
• Authors of publication: Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1065 - 1069
• a: 10.441 ± 0.002 Å
• b: 9.967 ± 0.002 Å
• c: 11.938 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No