Information card for entry 2310762

Structure parameters

• Formula: Ba0.761 Ca0.239 Nb2 O6
• Calculated formula: Ba0.76656 Ca0.23584 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: 7.9429 ± 0.0003 Å
• b: 17.624 ± 0.0005 Å
• c: 17.6229 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466.95 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 35
• Hermann-Mauguin space group symbol: C m m 2 (2*c,a,b)
• Hall space group symbol: C 2 -2 (1/2*z,x,y)
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for significantly intense reflections: 1.56
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No