Crystallography Open Database

Information card for entry 4317422

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Coordinates	4317422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce1.2 Cu0.4 P2 Se6
Calculated formula	Ce1.1984 Cu0.405 P2 Se6
Title of publication	NaCeP2Se6, Cu0.4Ce1.2P2Se6, Ce4(P2Se6)3, and the Incommensurately Modulated AgCeP2Se6: New Selenophosphates Featuring the Ethane-Like [P2Se6]4- Anion
Authors of publication	Jennifer A. Aitken; Michel Evain; Lykourgos Iordanidis; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	180 - 191
a	12.0409 ± 0.0014 Å
b	7.6418 ± 0.0008 Å
c	11.6999 ± 0.0013 Å
α	90°
β	111.269 ± 0.002°
γ	90°
Cell volume	1003.23 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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