Crystallography Open Database

Information card for entry 4120176

4120175 << 4120176 >> 4120177

Preview

Coordinates	4120176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au6.94 Ba2 Cd2.06
Calculated formula	Au6.945 Ba2 Cd2.055
Title of publication	Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)
Authors of publication	Qisheng Lin; Trinath Mishra; John D. Corbett
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11023 - 11031
a	8.8352 ± 0.0004 Å
b	8.8352 ± 0.0004 Å
c	22.51 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1521.73 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178978 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/01.	4120176.cif
105818	2014-03-13	cif/ Adding structures of 4120176 via cif-deposit CGI script.	4120176.cif