Information card for entry 7011981

Structure parameters

• Common name: strontium Barium nitridomolybdate
• Chemical name: tri (strontium/barium) nitridomolybdate (VI)
• Formula: Ba2.13 Mo N4 Sr0.87
• Calculated formula: Ba2.114 Mo N4 Sr0.886
• Title of publication: New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)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: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3961 - 3966
• a: 10.662 ± 0.005 Å
• b: 10.095 ± 0.005 Å
• c: 12.002 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1291.8 ± 1 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: 0.0738
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No