U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V3Se4 by Materials Project
Abstract
V3Se4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to six Se2- atoms to form a mixture of distorted edge, face, and corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are a spread of V–Se bond distances ranging from 2.44–2.77 Å. In the second V+2.67+ site, V+2.67+ is bonded to six Se2- atoms to form a mixture of edge, face, and corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are two shorter (2.53 Å) and four longer (2.58 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four V+2.67+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms.
- Publication Date:
- Other Number(s):
- mp-22700
- 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; Se-V; V3Se4; crystal structure
- OSTI Identifier:
- 1198904
- DOI:
- https://doi.org/10.17188/1198904
Citation Formats
Materials Data on V3Se4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198904.
Materials Data on V3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1198904
2020.
"Materials Data on V3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1198904. https://www.osti.gov/servlets/purl/1198904. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1198904,
title = {Materials Data on V3Se4 by Materials Project},
abstractNote = {V3Se4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to six Se2- atoms to form a mixture of distorted edge, face, and corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are a spread of V–Se bond distances ranging from 2.44–2.77 Å. In the second V+2.67+ site, V+2.67+ is bonded to six Se2- atoms to form a mixture of edge, face, and corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are two shorter (2.53 Å) and four longer (2.58 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four V+2.67+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms.},
doi = {10.17188/1198904},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}