Crystallography Open Database

Information card for entry 7243182

Preview

Coordinates	7243182.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Rubidium Sodium Cerium Thiophosphate
Formula	Ce Na0.5 P2 Rb2.5 S8
Calculated formula	Ce Na0.499 P2 Rb2.501 S8
Title of publication	Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth
Authors of publication	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	30
Pages of publication	5241 - 5248
a	9.1218 ± 0.0004 Å
b	17.4862 ± 0.0008 Å
c	9.4704 ± 0.0004 Å
α	90°
β	91.7907 ± 0.0017°
γ	90°
Cell volume	1509.84 ± 0.11 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
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	0.0837
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
268665 (current)	2021-09-06	cif/ Updating files of 7243182, 7243183, 7243184, 7243185, 7243186, 7243187 Original log message: Adding full bibliography for 7243182--7243187.cif.	7243182.cif
267415	2021-07-09	cif/ Adding structures of 7243182, 7243183, 7243184, 7243185, 7243186, 7243187 via cif-deposit CGI script.	7243182.cif