Crystallography Open Database

Information card for entry 4112390

Preview

Coordinates	4112390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al56.31 Ge2.69 Mn14
Calculated formula	Al56.33 Ge2.67 Mn14
Title of publication	Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units
Authors of publication	Li-Ming Wu; Dong-Kyun Seo
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	4398 - 4403
a	11.1018 ± 0.0013 Å
b	11.1018 ± 0.0013 Å
c	10.3501 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	1104.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178894 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/23.	4112390.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112390.cif
64778	2012-08-24	cif/ Adding structures of 4112390 via cif-deposit CGI script.	4112390.cif