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Title: Materials Data on C2S by Materials Project

Abstract

C2S crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten methane molecules and two C11S8 clusters. In each C11S8 cluster, there are five inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a 3-coordinate geometry to two S2- atoms. Both C–S bond lengths are 1.75 Å. In the second C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ and two S2- atoms. The C–C bond length is 1.39 Å. Both C–S bond lengths are 1.75 Å. In the third C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. In the fourth C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. The C–C bond length is 1.39 Å. In the fifth C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. The C–C bond length is 1.39 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the second S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. In the third S2- site,more » S2- is bonded in an L-shaped geometry to two C1+ atoms. The S–C bond length is 1.75 Å. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two equivalent C1+ atoms. Both S–C bond lengths are 1.75 Å. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the sixth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the seventh S2- site, S2- is bonded in an L-shaped geometry to two equivalent C1+ atoms. Both S–C bond lengths are 1.75 Å. In the eighth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. The S–C bond length is 1.75 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1214378
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; C2S; C-S
OSTI Identifier:
1663044
DOI:
https://doi.org/10.17188/1663044

Citation Formats

The Materials Project. Materials Data on C2S by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663044.
The Materials Project. Materials Data on C2S by Materials Project. United States. doi:https://doi.org/10.17188/1663044
The Materials Project. 2019. "Materials Data on C2S by Materials Project". United States. doi:https://doi.org/10.17188/1663044. https://www.osti.gov/servlets/purl/1663044. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663044,
title = {Materials Data on C2S by Materials Project},
author = {The Materials Project},
abstractNote = {C2S crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten methane molecules and two C11S8 clusters. In each C11S8 cluster, there are five inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a 3-coordinate geometry to two S2- atoms. Both C–S bond lengths are 1.75 Å. In the second C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ and two S2- atoms. The C–C bond length is 1.39 Å. Both C–S bond lengths are 1.75 Å. In the third C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. In the fourth C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. The C–C bond length is 1.39 Å. In the fifth C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. The C–C bond length is 1.39 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the second S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. The S–C bond length is 1.75 Å. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two equivalent C1+ atoms. Both S–C bond lengths are 1.75 Å. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the sixth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the seventh S2- site, S2- is bonded in an L-shaped geometry to two equivalent C1+ atoms. Both S–C bond lengths are 1.75 Å. In the eighth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. The S–C bond length is 1.75 Å.},
doi = {10.17188/1663044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}