Crystallography Open Database

Information card for entry 2105469

Preview

Coordinates	2105469.cif
Original IUCr paper	HTML

Structure parameters

Formula	Al220.86 Cu13.7 Ta150
Calculated formula	Al220.844 Cu13.704 Ta149.96
Title of publication	A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles
Authors of publication	Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter
Journal of publication	Acta Crystallographica Section B
Year of publication	2013
Journal volume	69
Journal issue	3
Pages of publication	238 - 248
a	13.512 ± 0.0018 Å
b	13.512 ± 0.0018 Å
c	39.022 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	6169.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.70926 Å
Diffraction radiation type	MoKα1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2105469.cif
86736	2013-07-11	cif/ Adding structures of 2105469 via cif-deposit CGI script.	2105469.cif