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Title: Materials Data on LiSnS2 by Materials Project

Abstract

Sn(Li)S2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with six equivalent SnS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li–S bond lengths are 2.67 Å. Sn3+ is bonded to six equivalent S2- atoms to form SnS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–S bond lengths are 2.74 Å. S2- is bonded to three equivalent Li1+ and three equivalent Sn3+ atoms to form a mixture of edge and corner-sharing SLi3Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1001783
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; LiSnS2; Li-S-Sn
OSTI Identifier:
1273034
DOI:
10.17188/1273034

Citation Formats

Persson, Kristin. Materials Data on LiSnS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273034.
Persson, Kristin. Materials Data on LiSnS2 by Materials Project. United States. doi:10.17188/1273034.
Persson, Kristin. 2020. "Materials Data on LiSnS2 by Materials Project". United States. doi:10.17188/1273034. https://www.osti.gov/servlets/purl/1273034. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1273034,
title = {Materials Data on LiSnS2 by Materials Project},
author = {Persson, Kristin},
abstractNote = {Sn(Li)S2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with six equivalent SnS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li–S bond lengths are 2.67 Å. Sn3+ is bonded to six equivalent S2- atoms to form SnS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–S bond lengths are 2.74 Å. S2- is bonded to three equivalent Li1+ and three equivalent Sn3+ atoms to form a mixture of edge and corner-sharing SLi3Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1273034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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