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Title: Materials Data on Sm10S19 by Materials Project

Abstract

Sm10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.83–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.13 Å. In the third Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.86–2.95 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the second S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Sm3+ atoms. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinatemore » geometry to four Sm3+ and one S+1.58- atom. The S–S bond length is 2.17 Å. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Sm3+ and one S+1.58- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-10534
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; Sm10S19; S-Sm
OSTI Identifier:
1187188
DOI:
https://doi.org/10.17188/1187188

Citation Formats

The Materials Project. Materials Data on Sm10S19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187188.
The Materials Project. Materials Data on Sm10S19 by Materials Project. United States. doi:https://doi.org/10.17188/1187188
The Materials Project. 2020. "Materials Data on Sm10S19 by Materials Project". United States. doi:https://doi.org/10.17188/1187188. https://www.osti.gov/servlets/purl/1187188. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1187188,
title = {Materials Data on Sm10S19 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.83–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.13 Å. In the third Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.86–2.95 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the second S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Sm3+ atoms. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Sm3+ and one S+1.58- atom. The S–S bond length is 2.17 Å. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Sm3+ and one S+1.58- atom.},
doi = {10.17188/1187188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}