Crystallography Open Database

Information card for entry 4344105

Preview

Coordinates	4344105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca5 Ge6 Pd6
Calculated formula	Ca5 Ge6 Pd6
Title of publication	Synthesis, Crystal Structure, and Bonding Analysis of the Hypoelectronic Cubic Phase Ca5Pd6Ge6.
Authors of publication	Doverbratt, Isa; Ponou, Siméon; Wang, Fei; Lidin, Sven
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	18
Pages of publication	9098 - 9104
a	8.7764 ± 0.0004 Å
b	8.7764 ± 0.0004 Å
c	8.7764 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	676 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.016
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for significantly intense reflections	1.82
Goodness-of-fit parameter for all reflections included in the refinement	1.8
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
160482 (current)	2015-10-06	cif/ Updating files of 4344105 Original log message: Adding full bibliography for 4344105.cif.	4344105.cif
153898	2015-09-03	cif/ Adding structures of 4344105 via cif-deposit CGI script.	4344105.cif