Crystallography Open Database

Information card for entry 4000772

Preview

Coordinates	4000772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 Fe S4
Calculated formula	Al2 Fe S4
Title of publication	High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)
Authors of publication	Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	12
Pages of publication	3086
a	3.6825 ± 0.0013 Å
b	3.6825 ± 0.0013 Å
c	12.192 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	143.18 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000772.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000772.cif
34942	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000772 via cif-deposit CGI script.	4000772.cif