Crystallography Open Database

Information card for entry 4304576

Preview

Coordinates	4304576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al28 Ca24 O66
Calculated formula	Al27.8832 Ca23.904 O65.584
Title of publication	Structure and Electrons in Mayenite Electrides
Authors of publication	Luis Palacios; Aurelio Cabeza; Sebastián Bruque; Santiago García-Granda; Miguel A. G. Aranda
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2661 - 2667
a	11.977 ± 0.0001 Å
b	11.977 ± 0.0001 Å
c	11.977 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1718.08 ± 0.02 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	3
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.72443 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4304576.html