Crystallography Open Database

Information card for entry 4120172

4120171 << 4120172 >> 4120173

Preview

Coordinates	4120172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au7.97 Ba2 Zn1.03
Calculated formula	Au7.968 Ba2 Zn1.032
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	8.6645 ± 0.0012 Å
b	8.6645 ± 0.0012 Å
c	22.325 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	1451.5 ± 0.4 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	0.0517
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4120172.cif
105814	2014-03-13	cif/ Adding structures of 4120172 via cif-deposit CGI script.	4120172.cif