U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2S3 by Materials Project
Abstract
Sm2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.82–3.02 Å. In the second Sm3+ site, Sm3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.84–3.09 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.79–3.19 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Sm3+ atoms. In the second S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 square pyramids.
- Publication Date:
- Other Number(s):
- mp-32645
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; S-Sm; Sm2S3; crystal structure
- OSTI Identifier:
- 1206337
- DOI:
- https://doi.org/10.17188/1206337
Citation Formats
Materials Data on Sm2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206337.
Materials Data on Sm2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1206337
2020.
"Materials Data on Sm2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1206337. https://www.osti.gov/servlets/purl/1206337. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206337,
title = {Materials Data on Sm2S3 by Materials Project},
abstractNote = {Sm2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.82–3.02 Å. In the second Sm3+ site, Sm3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.84–3.09 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.79–3.19 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Sm3+ atoms. In the second S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 square pyramids.},
doi = {10.17188/1206337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}