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Title: Materials Data on Li2MnSnS4 by Materials Project

Abstract

Li2MnSnS4 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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 MnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.43–2.51 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 MnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.50 Å. Mn2+ is bonded to four S2- atoms to form MnS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are three shorter (2.41 Å) and one longer (2.42 Å) Mn–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.42–2.44 Å. There are four inequivalentmore » S2- sites. In the first S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra. In the second S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra. In the third S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra. In the fourth S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1195603
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; Li2MnSnS4; Li-Mn-S-Sn
OSTI Identifier:
1744180
DOI:
https://doi.org/10.17188/1744180

Citation Formats

The Materials Project. Materials Data on Li2MnSnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744180.
The Materials Project. Materials Data on Li2MnSnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1744180
The Materials Project. 2020. "Materials Data on Li2MnSnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1744180. https://www.osti.gov/servlets/purl/1744180. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744180,
title = {Materials Data on Li2MnSnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2MnSnS4 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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 MnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.43–2.51 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 MnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.50 Å. Mn2+ is bonded to four S2- atoms to form MnS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are three shorter (2.41 Å) and one longer (2.42 Å) Mn–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.42–2.44 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra. In the second S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra. In the third S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra. In the fourth S2- site, S2- is bonded to two Li1+, one Mn2+, and one Sn4+ atom to form corner-sharing SLi2MnSn tetrahedra.},
doi = {10.17188/1744180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}