Crystallography Open Database

Information card for entry 4001101

Preview

Coordinates	4001101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H2 K O9 S2 Ti
Calculated formula	H2 K O9 S2 Ti
Title of publication	A New Realisation of theS= 1/2 Frustrated Chain Antiferromagnet
Authors of publication	Nilsen, G. J.; Rønnow, H. M.; Läuchli, A. M.; Fabbiani, F. P. A.; Sanchez-Benitez, J.; Kamenev, K. V.; Harrison, A.
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	1
Pages of publication	8
a	7.6492 ± 0.0003 Å
b	5.258 ± 0.0002 Å
c	9.0485 ± 0.0003 Å
α	90°
β	101.742 ± 0.002°
γ	90°
Cell volume	356.31 ± 0.02 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections	0.0978
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.0474
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001101.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001101.cif
41851	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001101 via cif-deposit CGI script.	4001101.cif