Crystallography Open Database

Information card for entry 1504314

Preview

Coordinates	1504314.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Iron Selenide
Chemical name	Barium Diiron(II) Triselenide
Formula	Ba Fe2 Se3
Calculated formula	Ba Fe2 Se3
Title of publication	Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}
Authors of publication	Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.
Journal of publication	Physical Review B
Year of publication	2011
Journal volume	84
Journal issue	18
Pages of publication	180409
a	11.88345 ± 0.00024 Å
b	5.41411 ± 0.0001 Å
c	9.14086 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	588.11 ± 0.02 Å³
Ambient diffraction temperature	5 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Goodness-of-fit parameter for all reflections	0.132
Diffraction radiation probe	neutron
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504314.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504314.cif
106285	2014-03-15	cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ \| codid2file \ \| xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually.	1504314.cif
39701	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504314 via cif-deposit CGI script.	1504314.cif