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Title: Materials Data on Sn3S7 by Materials Project

Abstract

Sn3S7 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Sn3S7 sheets oriented in the (0, 0, 1) direction. there are six inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.66 Å. In the second Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.63 Å. In the third Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.65 Å. In the fourth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.64 Å. In the fifth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.64 Å. In the sixth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. Theremore » are a spread of Sn–S bond distances ranging from 2.44–2.67 Å. There are fourteen inequivalent S+0.86- sites. In the first S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the second S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the third S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fourth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fifth S+0.86- site, S+0.86- is bonded in a distorted T-shaped geometry to three Sn2+ atoms. In the sixth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the seventh S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the eighth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the ninth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the tenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the eleventh S+0.86- site, S+0.86- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the twelfth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the thirteenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fourteenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms.« less

Publication Date:
Other Number(s):
mp-1203031
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; Sn3S7; S-Sn
OSTI Identifier:
1744912
DOI:
https://doi.org/10.17188/1744912

Citation Formats

The Materials Project. Materials Data on Sn3S7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744912.
The Materials Project. Materials Data on Sn3S7 by Materials Project. United States. doi:https://doi.org/10.17188/1744912
The Materials Project. 2020. "Materials Data on Sn3S7 by Materials Project". United States. doi:https://doi.org/10.17188/1744912. https://www.osti.gov/servlets/purl/1744912. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744912,
title = {Materials Data on Sn3S7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn3S7 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Sn3S7 sheets oriented in the (0, 0, 1) direction. there are six inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.66 Å. In the second Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.63 Å. In the third Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.65 Å. In the fourth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.64 Å. In the fifth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.64 Å. In the sixth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.67 Å. There are fourteen inequivalent S+0.86- sites. In the first S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the second S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the third S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fourth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fifth S+0.86- site, S+0.86- is bonded in a distorted T-shaped geometry to three Sn2+ atoms. In the sixth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the seventh S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the eighth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the ninth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the tenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the eleventh S+0.86- site, S+0.86- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the twelfth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the thirteenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fourteenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms.},
doi = {10.17188/1744912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}