Information card for entry 2105252

Structure parameters

• Common name: Calcium hemicarboaluminate
• Chemical name: Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate
• Formula: C0.25 Al Ca2 O9.25
• Calculated formula: C0.25 Al Ca2 O9.24998
• Title of publication: Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data
• Authors of publication: Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: 493 - 500
• a: 5.7757 ± 0.0001 Å
• b: 5.7757 ± 0.0001 Å
• c: 48.812 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1410.15 ± 0.07 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Goodness-of-fit parameter for all reflections: 5.233
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.8264 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes