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Title: Materials Data on Li2FeS2 by Materials Project

Abstract

Li2FeS2 is Corundum-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are one shorter (2.47 Å) and three longer (2.50 Å) Li–S bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.34 Å) and two longer (2.37 Å) Fe–S bond lengths. S2- is bonded to four equivalent Li1+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing SLi4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–74°.

Publication Date:
Other Number(s):
mp-755796
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2FeS2; Fe-Li-S
OSTI Identifier:
1290226
DOI:
10.17188/1290226

Citation Formats

The Materials Project. Materials Data on Li2FeS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290226.
The Materials Project. Materials Data on Li2FeS2 by Materials Project. United States. doi:10.17188/1290226.
The Materials Project. 2020. "Materials Data on Li2FeS2 by Materials Project". United States. doi:10.17188/1290226. https://www.osti.gov/servlets/purl/1290226. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290226,
title = {Materials Data on Li2FeS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2FeS2 is Corundum-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are one shorter (2.47 Å) and three longer (2.50 Å) Li–S bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.34 Å) and two longer (2.37 Å) Fe–S bond lengths. S2- is bonded to four equivalent Li1+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing SLi4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–74°.},
doi = {10.17188/1290226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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