U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm4(SiS4)3 by Materials Project
Abstract
Sm4(SiS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.36 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sm–S bond distances ranging from 2.82–3.03 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.18 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded to three Sm3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SSm3Si tetrahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196898
- 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; Sm4(SiS4)3; S-Si-Sm
- OSTI Identifier:
- 1740417
- DOI:
- https://doi.org/10.17188/1740417
Citation Formats
The Materials Project. Materials Data on Sm4(SiS4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740417.
The Materials Project. Materials Data on Sm4(SiS4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1740417
The Materials Project. 2020.
"Materials Data on Sm4(SiS4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1740417. https://www.osti.gov/servlets/purl/1740417. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740417,
title = {Materials Data on Sm4(SiS4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm4(SiS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.36 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sm–S bond distances ranging from 2.82–3.03 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.18 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded to three Sm3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SSm3Si tetrahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Si4+ atom.},
doi = {10.17188/1740417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}