Crystallography Open Database

Information card for entry 4123003

Preview

Coordinates	4123003.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Potassium Iron Arsenide
Formula	As2 Ba0.83 Fe2 K0.17
Calculated formula	As2 Ba0.833 Fe2 K0.167
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	3.94518 ± 0.0001 Å
b	3.94518 ± 0.0001 Å
c	13.13219 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	204.395 ± 0.007 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
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	0.0429
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.0371
Goodness-of-fit parameter for all reflections	2.73
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4123003.cif
127826	2014-11-22	cif/ Adding structures of 4123003 via cif-deposit CGI script.	4123003.cif