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Title: Materials Data on Li2FeSnS4 by Materials Project

Abstract

Li2FeSnS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra, corners with four equivalent FeS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.49 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra, corners with four equivalent FeS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.46–2.49 Å. Fe2+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.29–2.31 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.46–2.48 Å. There are four inequivalent S2- sites.more » In the first S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra. In the second S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra. In the third S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra. In the fourth S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra.« less

Publication Date:
Other Number(s):
mp-1105173
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; Li2FeSnS4; Fe-Li-S-Sn
OSTI Identifier:
1680525
DOI:
https://doi.org/10.17188/1680525

Citation Formats

The Materials Project. Materials Data on Li2FeSnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680525.
The Materials Project. Materials Data on Li2FeSnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1680525
The Materials Project. 2020. "Materials Data on Li2FeSnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1680525. https://www.osti.gov/servlets/purl/1680525. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680525,
title = {Materials Data on Li2FeSnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2FeSnS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra, corners with four equivalent FeS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.49 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra, corners with four equivalent FeS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.46–2.49 Å. Fe2+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.29–2.31 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.46–2.48 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra. In the second S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra. In the third S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra. In the fourth S2- site, S2- is bonded to two Li1+, one Fe2+, and one Sn4+ atom to form corner-sharing SLi2FeSn tetrahedra.},
doi = {10.17188/1680525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}