Information card for entry 2104094

Structure parameters

• Formula: Ca2 Co2.496 O6.117
• Title of publication: Disordered misfit [Ca~2~CoO~3~][CoO~2~]~1.62~ structure revisited <i>via</i> a new intrinsic modulation
• Authors of publication: Muguerra, Hervé; Grebille, Dominique; Bourée, Françoise
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: 144 - 153
• a: 4.8395 Å
• b: 4.5531 Å
• c: 10.8583 Å
• α: 90°
• β: 98.124°
• γ: 90°
• Cell volume: 236.859 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: X2/m
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.66
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No