Materials Data on V5S8 by Materials Project
Abstract
V5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V+3.20+ sites. In the first V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of V–S bond distances ranging from 2.29–2.48 Å. In the second V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of V–S bond distances ranging from 2.29–2.49 Å. In the third V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of face and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are four shorter (2.41 Å) and two longer (2.43 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four V+3.20+ atoms to form a mixture of distorted edge and corner-sharing SV4 trigonal pyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three V+3.20+ atoms. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-690772
- 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; V5S8; S-V
- OSTI Identifier:
- 1284575
- DOI:
- https://doi.org/10.17188/1284575
Citation Formats
The Materials Project. Materials Data on V5S8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284575.
The Materials Project. Materials Data on V5S8 by Materials Project. United States. doi:https://doi.org/10.17188/1284575
The Materials Project. 2020.
"Materials Data on V5S8 by Materials Project". United States. doi:https://doi.org/10.17188/1284575. https://www.osti.gov/servlets/purl/1284575. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1284575,
title = {Materials Data on V5S8 by Materials Project},
author = {The Materials Project},
abstractNote = {V5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V+3.20+ sites. In the first V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of V–S bond distances ranging from 2.29–2.48 Å. In the second V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of V–S bond distances ranging from 2.29–2.49 Å. In the third V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of face and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are four shorter (2.41 Å) and two longer (2.43 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four V+3.20+ atoms to form a mixture of distorted edge and corner-sharing SV4 trigonal pyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three V+3.20+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four V+3.20+ atoms.},
doi = {10.17188/1284575},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}