Crystallography Open Database

Information card for entry 4120173

4120172 << 4120173 >> 4120174

Preview

Coordinates	4120173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au8.06 Ba2 Sn0.94
Calculated formula	Au8.058 Ba2 Sn0.942
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	8.8112 ± 0.0005 Å
b	8.8112 ± 0.0005 Å
c	22.308 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1499.9 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0299
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0492
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4120173.cif
105815	2014-03-13	cif/ Adding structures of 4120173 via cif-deposit CGI script.	4120173.cif