Crystallography Open Database

Information card for entry 4109449

Preview

Coordinates	4109449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au37 Ca12.6 In39.6
Calculated formula	Au37.003 Ca12.64 In39.609
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	24.632 ± 0.003 Å
b	24.632 ± 0.003 Å
c	24.632 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14945 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.098
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
295937 (current)	2024-11-15	Removed the '_chemical_formula_moiety' data item since it had an incorrect value that was almost identical or almost identical to the value of the '_chemical_formula_weight' data item.	4109449.cif
178840	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.	4109449.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109449.cif
58223	2012-05-25	cif/ Adding structures of 4109449 via cif-deposit CGI script.	4109449.cif