Crystallography Open Database

Information card for entry 4304964

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Coordinates	4304964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au3.13 Ca Ga0.87
Calculated formula	Au3.133 Ca Ga0.867
Title of publication	Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal
Authors of publication	Qisheng Lin; John D. Corbett
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3462 - 3464
a	9.1022 ± 0.0004 Å
b	9.1022 ± 0.0004 Å
c	9.1022 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	754.12 ± 0.06 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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