Crystallography Open Database

Information card for entry 4000771

Preview

Coordinates	4000771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 Mn S4
Calculated formula	Al2 Mn 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	3.7013 ± 0.0013 Å
b	3.7013 ± 0.0013 Å
c	36.416 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	432 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	4000771.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000771.cif
34941	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000771 via cif-deposit CGI script.	4000771.cif