Information card for entry 2300459

Structure parameters

• Common name: Barium molybdate
• Formula: Ba Mo O4
• Calculated formula: Ba Mo O4
• SMILES: [Ba+2].[Mo](=O)(=O)([O-])[O-]
• Title of publication: Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals
• Authors of publication: Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1434 - 1446
• a: 5.584828 ± 0.000021 Å
• b: 5.584828 Å
• c: 12.82922 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 400.147 ± 0.003 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.092
• RFsqd: 0.04185
• Goodness-of-fit parameter for all reflections: 1.66
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No