U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La6Co(SiS7)2 by Materials Project
Abstract
La6Co(SiS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.83–3.29 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.84–3.12 Å. Co2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.51 Å) and three longer (2.60 Å) Co–S bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.15 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.15 Å) Si–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom. In the second S2- site, S2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223187
- 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; La6Co(SiS7)2; Co-La-S-Si
- OSTI Identifier:
- 1685608
- DOI:
- https://doi.org/10.17188/1685608
Citation Formats
The Materials Project. Materials Data on La6Co(SiS7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685608.
The Materials Project. Materials Data on La6Co(SiS7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685608
The Materials Project. 2020.
"Materials Data on La6Co(SiS7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685608. https://www.osti.gov/servlets/purl/1685608. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1685608,
title = {Materials Data on La6Co(SiS7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La6Co(SiS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.83–3.29 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.84–3.12 Å. Co2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.51 Å) and three longer (2.60 Å) Co–S bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.15 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.15 Å) Si–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Co2+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Co2+ atom.},
doi = {10.17188/1685608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}