Crystallography Open Database

Information card for entry 4101359

Preview

Coordinates	4101359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mg0.18 Sc3 Zn17.73
Calculated formula	Mg0.1815 Sc3 Zn17.7275
Title of publication	The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.
Authors of publication	Lin, Qisheng; Corbett, John D
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	40
Pages of publication	13268 - 13273
a	13.8629 ± 0.0016 Å
b	13.8629 ± 0.0016 Å
c	13.8629 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2664.2 ± 0.5 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	0.032
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178759 (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 4/10/13.	4101359.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101359.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101359.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4101359.cif
396	2008-06-20	Adding new CIF files from J-Am-Chem-Soc-2006/.	4101359.cif