Crystallography Open Database

Information card for entry 4117646

Preview

Coordinates	4117646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au3 Ge Sr
Calculated formula	Au3 Ge Sr
Title of publication	Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion
Authors of publication	Qisheng Lin; John D Corbett
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4877 - 4884
a	6.2638 ± 0.001 Å
b	6.2638 ± 0.001 Å
c	5.5082 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	216.12 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
178947 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117646.cif
74767	2013-03-03	cif/ Adding structures of 4117646 via cif-deposit CGI script.	4117646.cif