Crystallography Open Database

Information card for entry 4120171

4120170 << 4120171 >> 4120172

Preview

Coordinates	4120171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au6.4 Ba2 Zn2.6
Calculated formula	Au6.402 Ba2 Zn2.598
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	8.6386 ± 0.0005 Å
b	8.6386 ± 0.0005 Å
c	21.963 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1419.41 ± 0.17 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	0.0359
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120171.cif
105813	2014-03-13	cif/ Adding structures of 4120171 via cif-deposit CGI script.	4120171.cif