Crystallography Open Database

Information card for entry 4510639

Preview

Coordinates	4510639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mayenite
Formula	Al14 Ca12 O33
Calculated formula	Al14.004 Ca11.994 O32.984
Title of publication	Floating Zone Growth of Large and Defect-free Ca12Al14O33Single Crystals
Authors of publication	Ebbinghaus, Stefan G.; Krause, Holger; Syrowatka, Frank
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2990
a	11.9883 ± 0.0004 Å
b	11.9883 ± 0.0004 Å
c	11.9883 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1722.95 ± 0.1 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	0.0263
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179653 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06.	4510639.cif
113098	2014-05-08	cif/ Adding structures of 4510639 via cif-deposit CGI script.	4510639.cif