Crystallography Open Database

Information card for entry 4000805

Preview

Coordinates	4000805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce0.33 Pt1.67 Sb0.33
Calculated formula	Ce Pt5 Sb
Title of publication	First-Order Phase Transition in a New CaCu5-Related Antimonide, CePt5Sb
Authors of publication	Salamakha, L.; Bauer, E.; Michor, H.; Hilscher, G.; Müller, H.; Svagera, R.; Sologub, O.; Rogl, P.; Hester, J.; Roisnel, T.; Giester, G.; Mudryi, S.
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	17
Pages of publication	4016
a	5.3535 ± 0.0002 Å
b	5.3535 ± 0.0002 Å
c	31.0814 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	771.45 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000805.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000805.cif
34964	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000805 via cif-deposit CGI script.	4000805.cif