U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaFe2AsN by Materials Project
Abstract
LaFe2AsN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La2+ is bonded in a 4-coordinate geometry to three equivalent As3- and four equivalent N3- atoms. There are one shorter (3.03 Å) and two longer (3.15 Å) La–As bond lengths. All La–N bond lengths are 2.64 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent As3- and one N3- atom. There are one shorter (2.43 Å) and two longer (2.45 Å) Fe–As bond lengths. The Fe–N bond length is 1.91 Å. As3- is bonded in a 9-coordinate geometry to three equivalent La2+ and six equivalent Fe2+ atoms. N3- is bonded to four equivalent La2+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing NLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 20°.
- Publication Date:
- Other Number(s):
- mp-1078491
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Fe-La-N; LaFe2AsN; crystal structure
- OSTI Identifier:
- 1746353
- DOI:
- https://doi.org/10.17188/1746353
Citation Formats
Materials Data on LaFe2AsN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746353.
Materials Data on LaFe2AsN by Materials Project. United States. doi:https://doi.org/10.17188/1746353
2020.
"Materials Data on LaFe2AsN by Materials Project". United States. doi:https://doi.org/10.17188/1746353. https://www.osti.gov/servlets/purl/1746353. Pub date:Sun Apr 26 04:00:00 UTC 2020
@article{osti_1746353,
title = {Materials Data on LaFe2AsN by Materials Project},
abstractNote = {LaFe2AsN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La2+ is bonded in a 4-coordinate geometry to three equivalent As3- and four equivalent N3- atoms. There are one shorter (3.03 Å) and two longer (3.15 Å) La–As bond lengths. All La–N bond lengths are 2.64 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent As3- and one N3- atom. There are one shorter (2.43 Å) and two longer (2.45 Å) Fe–As bond lengths. The Fe–N bond length is 1.91 Å. As3- is bonded in a 9-coordinate geometry to three equivalent La2+ and six equivalent Fe2+ atoms. N3- is bonded to four equivalent La2+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing NLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 20°.},
doi = {10.17188/1746353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}