Crystallography Open Database

Information card for entry 4308077

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Coordinates	4308077.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mayenite
Formula	Al14 Ca12 O33
Calculated formula	Al14 Ca12 O32.912
Title of publication	Crystal Structures and in-Situ Formation Study of Mayenite Electrides
Authors of publication	Luis Palacios; Ángeles G. De La Torre; Sebastián Bruque; Jose L. García-Muñoz; Santiago García-Granda; Denis Sheptyakov; Miguel A. G. Aranda
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4167 - 4176
a	11.9904 ± 0.0003 Å
b	11.9904 ± 0.0003 Å
c	11.9904 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1723.86 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.037
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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