Crystallography Open Database

Information card for entry 7243183

Preview

Coordinates	7243183.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Rubidium Sodium Praseodymium Thiophosphate
Formula	Na0.55 P2 Pr Rb2.45 S8
Calculated formula	Na0.551 P2 Pr Rb2.449 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	9.057 ± 0.0003 Å
b	17.3059 ± 0.0006 Å
c	9.4252 ± 0.0003 Å
α	90°
β	91.8396 ± 0.0013°
γ	90°
Cell volume	1476.54 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0422
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	7243183.cif
267415	2021-07-09	cif/ Adding structures of 7243182, 7243183, 7243184, 7243185, 7243186, 7243187 via cif-deposit CGI script.	7243183.cif