Crystallography Open Database

Information card for entry 4123006

Preview

Coordinates	4123006.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Potassium Iron Arsenide
Formula	As2 Ba0.84 Fe2 K0.16
Calculated formula	As2 Ba0.839 Fe2 K0.161
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	293 K
Ambient diffraction temperature	293 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	0.0438
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections	3.49
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
179032 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30.	4123006.cif
127829	2014-11-22	cif/ Adding structures of 4123006 via cif-deposit CGI script.	4123006.cif