Crystallography Open Database

Information card for entry 4501852

Preview

Coordinates	4501852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As Fe Li
Calculated formula	As Fe Li
Title of publication	Single Crystal Growth and Characterization of Superconducting LiFeAs
Authors of publication	Morozov, Igor; Boltalin, Alexander; Volkova, Olga; Vasiliev, Alexander; Kataeva, Olga; Stockert, Ulrike; Abdel-Hafiez, Mahmoud; Bombor, Dirk; Bachmann, Anne; Harnagea, Luminita; Fuchs, Madeleine; Grafe, Hans-Joachim; Behr, Günter; Klingeler, Rüdiger; Borisenko, Sergey; Hess, Christian; Wurmehl, Sabine; Büchner, Bernd
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4428
a	3.7678 ± 0.0004 Å
b	3.7678 ± 0.0004 Å
c	6.3151 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	89.651 ± 0.018 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
179549 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/18.	4501852.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501852.cif
36136	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501852 via cif-deposit CGI script.	4501852.cif