U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3VS4 by Materials Project
Abstract
K3VS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.50 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.80 Å. V5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one V5+ atom. In the second S2- site, S2- is bonded to five K1+ and one V5+ atom to form distorted edge-sharing SK5V octahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one V5+ atom.
- Publication Date:
- Other Number(s):
- mp-3529
- 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; crystal structure; K-S-V; K3VS4
- OSTI Identifier:
- 1206975
- DOI:
- https://doi.org/10.17188/1206975
Citation Formats
Materials Data on K3VS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206975.
Materials Data on K3VS4 by Materials Project. United States. doi:https://doi.org/10.17188/1206975
2020.
"Materials Data on K3VS4 by Materials Project". United States. doi:https://doi.org/10.17188/1206975. https://www.osti.gov/servlets/purl/1206975. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1206975,
title = {Materials Data on K3VS4 by Materials Project},
abstractNote = {K3VS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.50 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.80 Å. V5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one V5+ atom. In the second S2- site, S2- is bonded to five K1+ and one V5+ atom to form distorted edge-sharing SK5V octahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one V5+ atom.},
doi = {10.17188/1206975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}