Crystallography Open Database

Information card for entry 2311360

Preview

Coordinates	2311360.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Thallium penta(indium/chromium) octaselenide
Formula	Cr0.189 In4.811 Se8 Tl
Calculated formula	Cr0.189 In4.811 Se8 Tl1.0002
Title of publication	Substitution of indium for chromium in TlIn<sub>5-<i>x</i></sub> Cr <sub> <i>x</i> </sub> Se<sub>8</sub>: crystal structure of TlIn<sub>4.811(5)</sub>Cr<sub>0.189(5)</sub>Se<sub>8</sub>.
Authors of publication	Lefèvre, Robin; Berthebaud, David; Gascoin, Franck
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 4
Pages of publication	500 - 502
a	19.8257 ± 0.0018 Å
b	3.9754 ± 0.0004 Å
c	9.5881 ± 0.0009 Å
α	90°
β	101.645 ± 0.005°
γ	90°
Cell volume	740.13 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0297
Weighted residual factors for all reflections included in the refinement	0.0308
Goodness-of-fit parameter for all reflections included in the refinement	1.34
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
245824 (current)	2019-12-25	cif/ Adding structures of 2311360 via cif-deposit CGI script.	2311360.cif