Crystallography Open Database

Information card for entry 4109448

Preview

Coordinates	4109448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au12.2 Ca3 In6.3
Calculated formula	Au12.168 Ca3 In6.298
Title of publication	Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning
Authors of publication	Qisheng Lin; John D. Corbett
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	6789 - 6797
a	15.152 ± 0.002 Å
b	15.152 ± 0.002 Å
c	15.152 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3478.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178840 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94.	4109448.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109448.cif
58222	2012-05-25	cif/ Adding structures of 4109448 via cif-deposit CGI script.	4109448.cif