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Title: Materials Data on LiFeAs by Materials Project

Abstract

LiFeAs crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to five equivalent Fe2+ and five equivalent As3- atoms. There are four shorter (2.57 Å) and one longer (2.58 Å) Li–Fe bond lengths. There are four shorter (2.56 Å) and one longer (2.59 Å) Li–As bond lengths. Fe2+ is bonded in a 10-coordinate geometry to five equivalent Li1+ and five equivalent As3- atoms. There are four shorter (2.43 Å) and one longer (2.83 Å) Fe–As bond lengths. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and five equivalent Fe2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1008927
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; LiFeAs; As-Fe-Li
OSTI Identifier:
1325168
DOI:
https://doi.org/10.17188/1325168

Citation Formats

The Materials Project. Materials Data on LiFeAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325168.
The Materials Project. Materials Data on LiFeAs by Materials Project. United States. doi:https://doi.org/10.17188/1325168
The Materials Project. 2020. "Materials Data on LiFeAs by Materials Project". United States. doi:https://doi.org/10.17188/1325168. https://www.osti.gov/servlets/purl/1325168. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1325168,
title = {Materials Data on LiFeAs by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeAs crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to five equivalent Fe2+ and five equivalent As3- atoms. There are four shorter (2.57 Å) and one longer (2.58 Å) Li–Fe bond lengths. There are four shorter (2.56 Å) and one longer (2.59 Å) Li–As bond lengths. Fe2+ is bonded in a 10-coordinate geometry to five equivalent Li1+ and five equivalent As3- atoms. There are four shorter (2.43 Å) and one longer (2.83 Å) Fe–As bond lengths. As3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and five equivalent Fe2+ atoms.},
doi = {10.17188/1325168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}