U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2B3 by Materials Project
Abstract
V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.
- Publication Date:
- Other Number(s):
- mp-9208
- 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; B-V; V2B3; crystal structure
- OSTI Identifier:
- 1313048
- DOI:
- https://doi.org/10.17188/1313048
Citation Formats
Materials Data on V2B3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313048.
Materials Data on V2B3 by Materials Project. United States. doi:https://doi.org/10.17188/1313048
2020.
"Materials Data on V2B3 by Materials Project". United States. doi:https://doi.org/10.17188/1313048. https://www.osti.gov/servlets/purl/1313048. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1313048,
title = {Materials Data on V2B3 by Materials Project},
abstractNote = {V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.},
doi = {10.17188/1313048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}