Information card for entry 2104269

Structure parameters

• Formula: Ca2 Co2.511 O6.138
• Title of publication: Original disorder‒order transition related to electronic and magnetic properties in the thermoelectric misfit phase [Ca~2~CoO~3~][CoO~2~]~1.62~
• Authors of publication: Muguerra, Hervé; Grebille, Dominique
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: 676 - 683
• a: 4.839 Å
• b: 4.553 Å
• c: 10.858 Å
• α: 90°
• β: 98.12°
• γ: 90°
• Cell volume: 236.825 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: X2/m
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes