Crystallography Open Database

Information card for entry 7706354

Preview

Coordinates	7706354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Nd2 P4 Rb4 S14
Calculated formula	Nd2 P4 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	22.9712 ± 0.0005 Å
b	6.8248 ± 0.0001 Å
c	18.8874 ± 0.0004 Å
α	90°
β	122.039 ± 0.0007°
γ	90°
Cell volume	2510.04 ± 0.09 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7706354.cif
260871	2021-01-09	cif/ Adding structures of 7706350, 7706351, 7706352, 7706353, 7706354, 7706355 via cif-deposit CGI script.	7706354.cif