Crystallography Open Database

Information card for entry 4001792

Preview

Coordinates	4001792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I4 S Tl6
Calculated formula	I4 S Tl6
SMILES	[I-].[Tl+].[S-2].[Tl+].[Tl+].[I-].[I-].[I-].[Tl+].[Tl+].[Tl+]
Title of publication	Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection
Authors of publication	Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	14
Pages of publication	2868
a	9.1758 ± 0.0013 Å
b	9.1758 ± 0.0013 Å
c	9.5879 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	807.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.388
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001792.cif
87825	2013-08-27	cif/ Adding structures of 4001792 via cif-deposit CGI script.	4001792.cif