Crystallography Open Database

Information card for entry 4305949

Preview

Coordinates	4305949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mg3.946 Zn21.336 Zr1.149
Calculated formula	Mg3.94567 Zn21.3317 Zr1.14933
Title of publication	Disordered Structures of the TM-Mg-Zn 1/1 Quasicrystal Approximants (TM = Hf, Zr, or Ti) and Chemical Intergrowth
Authors of publication	Cesar Pay Gómez; Satoshi Ohhashi; Akiji Yamamoto; An Pang Tsai
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8258 - 8266
a	13.709 ± 0.0005 Å
b	13.709 ± 0.0005 Å
c	13.709 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2576.42 ± 0.16 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	200
Hermann-Mauguin space group symbol	P m -3
Hall space group symbol	-P 2 2 3
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for significantly intense reflections	2.05
Goodness-of-fit parameter for all reflections included in the refinement	1.6
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305949.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305949.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305949.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305949.cif