Crystallography Open Database

Information card for entry 4319304

4319303 << 4319304 >> 4319305

Preview

Coordinates	4319304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cs4 Se27 Ti6
Calculated formula	Ba Cs4 Se27 Ti6
Title of publication	Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27
Authors of publication	Fu Qiang Huang; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	865 - 869
a	13.8039 ± 0.0016 Å
b	13.8039 ± 0.0016 Å
c	20.85 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3440.6 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.217
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
179273 (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 4/31/93.	4319304.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319304.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319304.cif
16036	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319304 via cif-deposit CGI script.	4319304.cif