Crystallography Open Database

Information card for entry 4311685

Preview

Coordinates	4311685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu S4 Ti2
Calculated formula	Cu S4 Ti2
Title of publication	Crystal Structure and Physical Properties of a New CuTi2S4 Modification in Comparison to the Thiospinel
Authors of publication	Navid Soheilnia; Katja M. Kleinke; Enkhtsetseg Dashjav; Heather L. Cuthbert; John E. Greedan; Holger Kleinke
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6473 - 6478
a	7.0242 ± 0.0004 Å
b	7.0242 ± 0.0004 Å
c	34.834 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1488.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179155 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/16.	4311685.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311685.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311685.cif
3184	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311685 via cif-deposit CGI script.	4311685.cif