U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeVO4 by Materials Project
Abstract
CeVO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.25–2.69 Å. V5+ is bonded to five O2- atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.72–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce3+ and one V5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ce3+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Ce3+ and two equivalent V5+ atoms.
- Publication Date:
- Other Number(s):
- mp-541244
- 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; Ce-O-V; CeVO4; crystal structure
- OSTI Identifier:
- 1265010
- DOI:
- https://doi.org/10.17188/1265010
Citation Formats
Materials Data on CeVO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265010.
Materials Data on CeVO4 by Materials Project. United States. doi:https://doi.org/10.17188/1265010
2020.
"Materials Data on CeVO4 by Materials Project". United States. doi:https://doi.org/10.17188/1265010. https://www.osti.gov/servlets/purl/1265010. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1265010,
title = {Materials Data on CeVO4 by Materials Project},
abstractNote = {CeVO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.25–2.69 Å. V5+ is bonded to five O2- atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.72–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce3+ and one V5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ce3+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Ce3+ and two equivalent V5+ atoms.},
doi = {10.17188/1265010},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}