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Title: Materials Data on Ni3(SnS)2 by Materials Project

Abstract

Ni3Sn2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four Sn and two equivalent S atoms. There are two shorter (2.72 Å) and two longer (2.77 Å) Ni–Sn bond lengths. Both Ni–S bond lengths are 2.18 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Ni and two equivalent S atoms to form corner-sharing SnNi6S2 hexagonal bipyramids. Both Sn–S bond lengths are 2.91 Å. In the second Sn site, Sn is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. S is bonded in a 4-coordinate geometry to three equivalent Ni and one Sn atom.

Authors:
Publication Date:
Other Number(s):
mp-5528
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; Ni3(SnS)2; Ni-S-Sn
OSTI Identifier:
1267583
DOI:
https://doi.org/10.17188/1267583

Citation Formats

The Materials Project. Materials Data on Ni3(SnS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267583.
The Materials Project. Materials Data on Ni3(SnS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1267583
The Materials Project. 2020. "Materials Data on Ni3(SnS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1267583. https://www.osti.gov/servlets/purl/1267583. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267583,
title = {Materials Data on Ni3(SnS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni3Sn2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four Sn and two equivalent S atoms. There are two shorter (2.72 Å) and two longer (2.77 Å) Ni–Sn bond lengths. Both Ni–S bond lengths are 2.18 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Ni and two equivalent S atoms to form corner-sharing SnNi6S2 hexagonal bipyramids. Both Sn–S bond lengths are 2.91 Å. In the second Sn site, Sn is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. S is bonded in a 4-coordinate geometry to three equivalent Ni and one Sn atom.},
doi = {10.17188/1267583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}