Crystallography Open Database

Information card for entry 2105251

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2105251.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Carbonated calcium hemicarboaluminate
Chemical name	Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate
Formula	C0.4 Al Ca2 O9.2
Calculated formula	C0.4 Al Ca2 O9.2
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	5.7534 ± 0.0001 Å
b	5.7534 ± 0.0001 Å
c	46.389 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1329.83 ± 0.04 Å³
Cell temperature	347.15 K
Ambient diffraction temperature	347.15 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	6.33
Method of determination	powder diffraction
Diffraction radiation wavelength	0.8264 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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