Crystallography Open Database

Information card for entry 4101395

Preview

Coordinates	4101395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Cl Fe2 O10 Te4
Calculated formula	Br Cl Fe2 O10 Te4
Title of publication	Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.
Authors of publication	Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	48
Pages of publication	15469 - 15475
a	13.2722 ± 0.0008 Å
b	6.5965 ± 0.0004 Å
c	14.2351 ± 0.0009 Å
α	90°
β	108.02 ± 0.005°
γ	90°
Cell volume	1185.15 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4101395.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101395.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101395.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4101395.cif
396	2008-06-20	Adding new CIF files from J-Am-Chem-Soc-2006/.	4101395.cif