Crystallography Open Database

Information card for entry 4122825

Preview

Coordinates	4122825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe O3 Sc
Calculated formula	Fe O3 Sc
Title of publication	Room-Temperature Polar Ferromagnet ScFeO3 Transformed from a High-Pressure Orthorhombic Perovskite Phase.
Authors of publication	Kawamoto, Takahiro; Fujita, Koji; Yamada, Ikuya; Matoba, Tomohiko; Kim, Sung Joo; Gao, Peng; Pan, Xiaoqing; Findlay, Scott D.; Tassel, Cédric; Kageyama, Hiroshi; Studer, Andrew J.; Hester, James; Irifune, Tetsuo; Akamatsu, Hirofumi; Tanaka, Katsuhisa
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	43
Pages of publication	15291 - 15299
a	5.1968 ± 0.0002 Å
b	5.1968 ± 0.0002 Å
c	13.9363 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	325.95 ± 0.02 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.00635
RFsqd	0.00633
Residual factor R(I) for significantly intense reflections	0.01306
Goodness-of-fit parameter for all reflections	0.7877
Method of determination	powder diffraction
Diffraction radiation wavelength	0.41912 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179030 (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 4/12/28.	4122825.cif
127058	2014-11-12	cif/ Updating files of 4122825 Original log message: Adding full bibliography for 4122825.cif.	4122825.cif
125689	2014-10-22	cif/ Adding structures of 4122825 via cif-deposit CGI script.	4122825.cif