Crystallography Open Database

Information card for entry 1501463

Preview

Coordinates	1501463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe7 Mo6
Calculated formula	Fe7 Mo6
SMILES	[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
Title of publication	Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system
Authors of publication	Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique
Journal of publication	Physical Review B
Year of publication	2011
Journal volume	83
Journal issue	18
Pages of publication	184201
a	4.7402 Å
b	4.7402 Å
c	26.0028 Å
α	90°
β	90°
γ	120°
Cell volume	505.992 Å³
Number of distinct elements	2
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
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.	1501463.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501463.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501463.cif
19012	2011-05-06	cif/1/ Updating formatting and noting authorship of the _cod_depositor_comments in 1501463.cif.	1501463.cif
19011	2011-05-06	cif/1/ Adding some corrections to the recently deposited structure: adding depositor comments received by e-mail, and also author list and journal issue.	1501463.cif
19009	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 1501463 via cif-deposit CGI script.	1501463.cif