Materials Data on Sm3SiS6Cl by Materials Project
Abstract
Sm3SiS6Cl crystallizes in the monoclinic P2_1 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 seven S2- and one Cl1- atom. There are a spread of Sm–S bond distances ranging from 2.75–3.17 Å. The Sm–Cl bond length is 2.90 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to seven S2- and one Cl1- atom. There are a spread of Sm–S bond distances ranging from 2.74–3.16 Å. The Sm–Cl bond length is 2.88 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to six S2- and two equivalent Cl1- atoms. There are a spread of Sm–S bond distances ranging from 2.76–3.09 Å. There are one shorter (2.85 Å) and one longer (3.14 Å) Sm–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.16 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1219229
- 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; Sm3SiS6Cl; Cl-S-Si-Sm
- OSTI Identifier:
- 1684502
- DOI:
- https://doi.org/10.17188/1684502
Citation Formats
The Materials Project. Materials Data on Sm3SiS6Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684502.
The Materials Project. Materials Data on Sm3SiS6Cl by Materials Project. United States. doi:https://doi.org/10.17188/1684502
The Materials Project. 2020.
"Materials Data on Sm3SiS6Cl by Materials Project". United States. doi:https://doi.org/10.17188/1684502. https://www.osti.gov/servlets/purl/1684502. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684502,
title = {Materials Data on Sm3SiS6Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3SiS6Cl crystallizes in the monoclinic P2_1 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 seven S2- and one Cl1- atom. There are a spread of Sm–S bond distances ranging from 2.75–3.17 Å. The Sm–Cl bond length is 2.90 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to seven S2- and one Cl1- atom. There are a spread of Sm–S bond distances ranging from 2.74–3.16 Å. The Sm–Cl bond length is 2.88 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to six S2- and two equivalent Cl1- atoms. There are a spread of Sm–S bond distances ranging from 2.76–3.09 Å. There are one shorter (2.85 Å) and one longer (3.14 Å) Sm–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.16 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral 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 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. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four Sm3+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to four Sm3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four Sm3+ atoms.},
doi = {10.17188/1684502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}