Crystallography Open Database

Information card for entry 7711690

Preview

Coordinates	7711690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs P S4 Sr
Calculated formula	Cs P S4 Sr
Title of publication	Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.
Authors of publication	Huang, Yi; Huang, Junben; Zhang, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	39
Pages of publication	15067 - 15073
a	18.0743 ± 0.0012 Å
b	6.7904 ± 0.0005 Å
c	6.4174 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	787.62 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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/7711690.html