Information card for entry 2102787

Structure parameters

• Formula: Ca3.333 Nb2.666 O11.333 Ti0.667
• Title of publication: Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
• Authors of publication: Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: 183 - 189
• a: 7.6889 ± 0.0003 Å
• b: 5.3381 ± 0.0003 Å
• c: 5.4763 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 89.921 ± 0.004°
• Cell volume: 224.77 ± 0.016 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 2.63
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No