Crystallography Open Database

Information card for entry 4328346

Preview

Coordinates	4328346.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BaAu6Zn7
Formula	Au6 Ba Zn7
Calculated formula	Au5.932 Ba Zn7.068
Title of publication	BaAuxZn13-x: Electron-Poor Cubic NaZn13- Type Intermetallic and Its Ordered Tetragonal Variant
Authors of publication	Shalabh Gupta; John D. Corbett
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2247 - 2253
a	8.8945 ± 0.0004 Å
b	8.8945 ± 0.0004 Å
c	12.6457 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1000.43 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	125
Hermann-Mauguin space group symbol	P 4/n b m :2
Hall space group symbol	-P 4a 2b
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
179386 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/83.	4328346.cif
77311	2013-03-26	cif/ Adding structures of 4328346 via cif-deposit CGI script.	4328346.cif