Crystallography Open Database

Information card for entry 4339178

Preview

Coordinates	4339178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi K9 P4 S16
Calculated formula	Bi K9 P4 S16
SMILES	[Bi]12(SP(=S)([S-])S1)(SP(=S)([S-])[S-])(SP(=S)([S-])[S-])SP(=S)([S-])S2.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
Title of publication	New potassium bismuth thiophosphates including the modulated K(1.5)Bi(2.5)(PS4)(3).
Authors of publication	Gave, Matthew A.; Weliky, David P.; Kanatzidis, Mercouri G.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11063 - 11074
a	18.306 ± 0.004 Å
b	8.926 ± 0.002 Å
c	9.71 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1586.6 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339178.cif
117180	2014-06-14	cif/ Adding structures of 4339178 via cif-deposit CGI script.	4339178.cif