Information card for entry 2310764

Structure parameters

• Formula: Ba0.693 Ca0.307 Nb2 O6
• Calculated formula: Ba0.69456 Ca0.30672 Nb2 O6
• Title of publication: Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
• Authors of publication: Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 743 - 749
• a: 12.4608 ± 0.0005 Å
• b: 12.4608 ± 0.0005 Å
• c: 7.9185 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1229.52 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 100
• Hermann-Mauguin space group symbol: P 4 b m (a,b,2*c)
• Hall space group symbol: P 4 -2ab (x,y,1/2*z)
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for significantly intense reflections: 2.11
• Goodness-of-fit parameter for all reflections included in the refinement: 2.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No