Crystallography Open Database

Information card for entry 4301374

Preview

Coordinates	4301374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al24.88 Au7.46 Ca3 Mo
Calculated formula	Al24.876 Au7.456 Ca3 Mo
Title of publication	R3Au6+xAl26T (R = Ca, Sr, Eu, Yb; T = Early Transition Metal): a Large Family of Compounds with a Stuffed BaHg11 Structure Type Grown from Aluminum Flux
Authors of publication	Susan E. Latturner; Daniel Bilc; S. D. Mahanti; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1346 - 1355
a	8.6056 ± 0.0003 Å
b	8.6056 ± 0.0003 Å
c	8.6056 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	637.3 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0208
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for all reflections included in the refinement	1.296
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
179051 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/13.	4301374.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301374.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301374.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301374.cif