Crystallography Open Database

Information card for entry 4331460

Preview

Coordinates	4331460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs P S4 Sn
Calculated formula	Cs P S4 Sn
Title of publication	New Layered Tin(II) Thiophosphates ASnPS4 (A = K, Rb, Cs): Synthesis, Structure, Glass Formation, and the Modulated CsSnPS4
Authors of publication	Santanu Banerjee; Christos D. Malliakas; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11562 - 11573
a	6.2031 ± 0.0005 Å
b	6.8416 ± 0.0005 Å
c	18.0468 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	765.89 ± 0.1 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P21/m(\a0\g)0s
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for significantly intense reflections	1.78
Goodness-of-fit parameter for all reflections included in the refinement	1.45
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176724 (current)	2016-02-18	cif/4/33/ (antanas@echidna.ibt.lt) Setting svn:keywords property for entries 4331457-4331463.	4331460.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331460.cif
85317	2013-05-07	Adding modulated structures	4331460.cif