Information card for entry 2100721

Structure parameters

• Formula: Ba0.39 Nb2 O6 Sr0.61
• Calculated formula: Ba0.39016 Nb2 O6 Sr0.61016
• Title of publication: Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82
• Authors of publication: Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 960 - 965
• a: 12.4575 ± 0.0007 Å
• b: 12.4575 ± 0.0007 Å
• c: 3.9382 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 611.17 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 100
• Hermann-Mauguin space group symbol: P 4 b m
• Hall space group symbol: P 4 -2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No