Crystallography Open Database

Information card for entry 4101360

Preview

Coordinates	4101360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mg2.52 Sc11.18 Zn73.61
Calculated formula	Mg2.535 Sc11.17 Zn73.612
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	22.412 ± 0.002 Å
b	22.412 ± 0.002 Å
c	22.412 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11257.5 ± 1.7 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	0.1326
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4101360.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101360.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101360.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.	4101360.cif
396	2008-06-20	Adding new CIF files from J-Am-Chem-Soc-2006/.	4101360.cif