Crystallography Open Database

Information card for entry 4313241

Preview

Coordinates	4313241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al1.34 Ca Mg0.66
Calculated formula	Ca Mg2
SMILES	[Mg].[Mg].[Ca]
Title of publication	Laves-Phase Structural Changes in the System CaAl2-xMgx
Authors of publication	Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1467 - 1474
a	5.8353 ± 0.0004 Å
b	5.8353 ± 0.0004 Å
c	18.897 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	557.25 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0352
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
288183 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name.	4313241.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4313241.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313241.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313241.cif
6310	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313241 via cif-deposit CGI script.	4313241.cif