U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3Si2S8Br by Materials Project
Abstract
Sm3Si2S8Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to eight S2- and one Br1- atom. There are a spread of Sm–S bond distances ranging from 2.89–3.04 Å. The Sm–Br bond length is 3.44 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to eight S2- and one Br1- atom. There are a spread of Sm–S bond distances ranging from 2.87–3.39 Å. The Sm–Br bond length is 2.97 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.12 Å) and two longer (2.13 Å) Si–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555527
- 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; Sm3Si2S8Br; Br-S-Si-Sm
- OSTI Identifier:
- 1268859
- DOI:
- https://doi.org/10.17188/1268859
Citation Formats
The Materials Project. Materials Data on Sm3Si2S8Br by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268859.
The Materials Project. Materials Data on Sm3Si2S8Br by Materials Project. United States. doi:https://doi.org/10.17188/1268859
The Materials Project. 2020.
"Materials Data on Sm3Si2S8Br by Materials Project". United States. doi:https://doi.org/10.17188/1268859. https://www.osti.gov/servlets/purl/1268859. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1268859,
title = {Materials Data on Sm3Si2S8Br by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3Si2S8Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to eight S2- and one Br1- atom. There are a spread of Sm–S bond distances ranging from 2.89–3.04 Å. The Sm–Br bond length is 3.44 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to eight S2- and one Br1- atom. There are a spread of Sm–S bond distances ranging from 2.87–3.39 Å. The Sm–Br bond length is 2.97 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.12 Å) and two longer (2.13 Å) Si–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. Br1- is bonded in a 1-coordinate geometry to three Sm3+ atoms.},
doi = {10.17188/1268859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}