Crystallography Open Database

Information card for entry 7038075

Preview

Coordinates	7038075.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tindisulfide
Formula	S2 Sn
Calculated formula	S2 Sn
Title of publication	Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Authors of publication	Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	9
Pages of publication	3798 - 3805
a	3.5343 ± 0.0004 Å
b	3.5343 ± 0.0004 Å
c	5.068 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	54.82 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	2
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0138
Residual factor for significantly intense reflections	0.0138
Weighted residual factors for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.0309
Goodness-of-fit parameter for all reflections included in the refinement	1.422
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177861 (current)	2016-03-05	cif/ Updating files of 7038069, 7038070, 7038071, 7038072, 7038073, 7038074, 7038075, 7038076, 7038077, 7038078, 7038079, 7038080, 7038081, 7038082 Original log message: Adding full bibliography for 7038069--7038082.cif.	7038075.cif
174664	2016-01-21	cif/ Adding structures of 7038075 via cif-deposit CGI script.	7038075.cif