Crystallography Open Database

Information card for entry 4313240

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Coordinates	4313240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al0.93 Ca Mg1.07
Calculated formula	Al1.25 Ca Mg0.75
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	5.935 ± 0.001 Å
b	5.935 ± 0.001 Å
c	19.258 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	587.5 ± 0.2 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	0.0497
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0175
Weighted residual factors for all reflections included in the refinement	0.0321
Goodness-of-fit parameter for all reflections included in the refinement	1.881
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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