Crystallography Open Database

Information card for entry 3500058

Preview

Coordinates	3500058.cif

Structure parameters

Formula	Cr F13 Pb5
Calculated formula	Cr F12 Pb5
Title of publication	Approaching the crystal structure of Pb5CrF13 (a big mess indeed : systematic twinning)
Authors of publication	Armel Le Bail
Journal of publication	Personal communication to COD
Year of publication	2016
a	8.2137 ± 0.001 Å
b	6.0253 ± 0.001 Å
c	12.282 ± 0.001 Å
α	90°
β	100.1 ± 0.001°
γ	90°
Cell volume	598.42 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1611
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for significantly intense reflections	0.2702
Weighted residual factors for all reflections included in the refinement	0.3216
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288183 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name.	3500058.cif
189070	2016-12-12	cif/ Adding structures of 3500058 via cif-deposit CGI script.	3500058.cif