U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VBiO4 by Materials Project
Abstract
BiVO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1101208
- 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; Bi-O-V; VBiO4; crystal structure
- OSTI Identifier:
- 1681560
- DOI:
- https://doi.org/10.17188/1681560
Citation Formats
Materials Data on VBiO4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1681560.
Materials Data on VBiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1681560
2018.
"Materials Data on VBiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1681560. https://www.osti.gov/servlets/purl/1681560. Pub date:Tue Jul 17 04:00:00 UTC 2018
@article{osti_1681560,
title = {Materials Data on VBiO4 by Materials Project},
abstractNote = {BiVO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one V5+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1681560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}