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Title: 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°.

Authors:
Publication Date:
Other Number(s):
mp-1078491
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaFe2AsN; As-Fe-La-N
OSTI Identifier:
1746353
DOI:
https://doi.org/10.17188/1746353

Citation Formats

The Materials Project. Materials Data on LaFe2AsN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746353.
The Materials Project. Materials Data on LaFe2AsN by Materials Project. United States. doi:https://doi.org/10.17188/1746353
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1746353,
title = {Materials Data on LaFe2AsN by Materials Project},
author = {The 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}
}