Crystallography Open Database

Information card for entry 4317423

Preview

Coordinates	4317423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce1.33 P2 Se6
Calculated formula	Ce1.332 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	6.8057 ± 0.0005 Å
b	22.9685 ± 0.0015 Å
c	11.7226 ± 0.0008 Å
α	90°
β	124.096 ± 0.001°
γ	90°
Cell volume	1517.44 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0955
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317423.html