Crystallography Open Database

Information card for entry 7706351

Preview

Coordinates	7706351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	P4 Pr2 Rb4 S14
Calculated formula	P4 Pr2 Rb4 S14
Title of publication	A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.
Authors of publication	Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	5
Pages of publication	1683 - 1689
a	9.4631 ± 0.0002 Å
b	6.8309 ± 0.0001 Å
c	19.6643 ± 0.0004 Å
α	90°
β	98.0659 ± 0.0007°
γ	90°
Cell volume	1258.55 ± 0.04 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	301.92 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0161
Weighted residual factors for significantly intense reflections	0.0348
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
262620 (current)	2021-03-05	cif/ Updating files of 7706350, 7706351, 7706352, 7706353, 7706354, 7706355 Original log message: Adding full bibliography for 7706350--7706355.cif.	7706351.cif
260871	2021-01-09	cif/ Adding structures of 7706350, 7706351, 7706352, 7706353, 7706354, 7706355 via cif-deposit CGI script.	7706351.cif