Crystallography Open Database

Information card for entry 4123005

Preview

Coordinates	4123005.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Iron Arsenide
Formula	As2 Ba Fe2
Calculated formula	As2 Ba Fe2
Title of publication	Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.
Authors of publication	Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141121132150009
a	3.961 ± 0.006 Å
b	3.961 ± 0.006 Å
c	13.02 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	204.3 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0247
Weighted residual factors for all reflections included in the refinement	0.0248
Goodness-of-fit parameter for all reflections	2.09
Method of determination	powder diffraction
Diffraction radiation wavelength	0.41383 Å
Diffraction radiation type	synchrotron
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.	4123005.cif
127828	2014-11-22	cif/ Adding structures of 4123005 via cif-deposit CGI script.	4123005.cif