Crystallography Open Database

Information card for entry 4511818

Preview

Coordinates	4511818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F Fe O3 Sr2
Calculated formula	F Fe O3 Sr2
Title of publication	Anion Order-to-Disorder Transition in Layered Iron Oxyfluoride Sr2FeO3F Single Crystals
Authors of publication	Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Hayashi, Naoaki; Yamaura, Kazunari; Uchikoshi, Tetsuo
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4278
a	3.8644 ± 0.0001 Å
b	3.8644 ± 0.0001 Å
c	13.1678 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	196.642 ± 0.013 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0348
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511818.cif
122842	2014-09-06	cif/ Updating files of 4511818 Original log message: Adding full bibliography for 4511818.cif.	4511818.cif
122365	2014-08-22	cif/ Adding structures of 4511818 via cif-deposit CGI script.	4511818.cif