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Title: Materials Data on Co3(SnS)2 by Materials Project

Abstract

Co3Sn2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co is bonded in a distorted linear geometry to four Sn and two equivalent S atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Co–Sn bond lengths. Both Co–S bond lengths are 2.16 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Co and two equivalent S atoms to form SnCo6S2 hexagonal bipyramids that share corners with six equivalent SnCo6S2 hexagonal bipyramids and edges with six equivalent SnCo6 cuboctahedra. Both Sn–S bond lengths are 2.89 Å. In the second Sn site, Sn is bonded to six equivalent Co atoms to form distorted SnCo6 cuboctahedra that share corners with six equivalent SnCo6 cuboctahedra and edges with six equivalent SnCo6S2 hexagonal bipyramids. S is bonded in a 4-coordinate geometry to three equivalent Co and one Sn atom.

Authors:
Publication Date:
Other Number(s):
mp-19807
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; Co3(SnS)2; Co-S-Sn
OSTI Identifier:
1195005
DOI:
https://doi.org/10.17188/1195005

Citation Formats

The Materials Project. Materials Data on Co3(SnS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195005.
The Materials Project. Materials Data on Co3(SnS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1195005
The Materials Project. 2020. "Materials Data on Co3(SnS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1195005. https://www.osti.gov/servlets/purl/1195005. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195005,
title = {Materials Data on Co3(SnS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Sn2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co is bonded in a distorted linear geometry to four Sn and two equivalent S atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Co–Sn bond lengths. Both Co–S bond lengths are 2.16 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Co and two equivalent S atoms to form SnCo6S2 hexagonal bipyramids that share corners with six equivalent SnCo6S2 hexagonal bipyramids and edges with six equivalent SnCo6 cuboctahedra. Both Sn–S bond lengths are 2.89 Å. In the second Sn site, Sn is bonded to six equivalent Co atoms to form distorted SnCo6 cuboctahedra that share corners with six equivalent SnCo6 cuboctahedra and edges with six equivalent SnCo6S2 hexagonal bipyramids. S is bonded in a 4-coordinate geometry to three equivalent Co and one Sn atom.},
doi = {10.17188/1195005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}