Information card for entry 7009095

Structure parameters

• Common name: Barium molybdenum nitride
• Chemical name: tribarium molybdenum(VI) tetranitride
• Formula: Ba3 Mo N4
• Calculated formula: Ba3 Mo N4
• Title of publication: Preparation and structural characterisation of the trigonal nitridometalate Ba3MoN4
• Authors of publication: Francesconi, M. Grazia; Barker, Marten G.; Cooke, Paul A.; Blake, Alexander J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1709
• a: 18.422 ± 0.003 Å
• b: 18.422 ± 0.003 Å
• c: 10.405 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3058.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No