Information card for entry 2104173

Structure parameters

• Formula: Al2 Ca2 O5
• Calculated formula: Al2 Ca2 O5
• Title of publication: Incommensurate structure of Ca~2~Al~2~O~5~ at high temperatures ‒ structure investigation and Raman spectroscopy
• Authors of publication: Lazic, Biljana; Krüger, Hannes; Kahlenberg, Volker; Konzett, Jürgen; Kaindl, Reinhard
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: 417 - 425
• a: 5.2699 ± 0.0005 Å
• b: 14.6984 ± 0.0015 Å
• c: 5.4196 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 419.8 ± 0.07 ų
• Cell temperature: 1090 ± 10 K
• Ambient diffraction temperature: 1090 ± 10 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: Imma(00\g)s00
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 3.52
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes