skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Li2ZnSnS4 by Materials Project

Abstract

Li2ZnSnS4 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 ZnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.44–2.48 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 ZnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.48 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.35–2.37 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.43 Å) Sn–S bond lengths. There are four inequivalentmore » S2- sites. In the first S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra. In the second S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra. In the third S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra. In the fourth S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra.« less

Publication Date:
Other Number(s):
mp-555186
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; Li2ZnSnS4; Li-S-Sn-Zn
OSTI Identifier:
1268677
DOI:
10.17188/1268677

Citation Formats

The Materials Project. Materials Data on Li2ZnSnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268677.
The Materials Project. Materials Data on Li2ZnSnS4 by Materials Project. United States. doi:10.17188/1268677.
The Materials Project. 2020. "Materials Data on Li2ZnSnS4 by Materials Project". United States. doi:10.17188/1268677. https://www.osti.gov/servlets/purl/1268677. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268677,
title = {Materials Data on Li2ZnSnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2ZnSnS4 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 ZnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.44–2.48 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 ZnS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.48 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.35–2.37 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with eight LiS4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.43 Å) Sn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra. In the second S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra. In the third S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra. In the fourth S2- site, S2- is bonded to two Li1+, one Zn2+, and one Sn4+ atom to form corner-sharing SLi2ZnSn tetrahedra.},
doi = {10.17188/1268677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: