Crystallography Open Database

Information card for entry 4317421

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Coordinates	4317421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce Na P2 Se6
Calculated formula	Ce Na 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	12.1422 ± 0.0002 Å
b	7.6982 ± 0.0001 Å
c	11.7399 ± 0.0002 Å
α	90°
β	111.545 ± 0.001°
γ	90°
Cell volume	1020.69 ± 0.03 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	0.0393
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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