U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VCrO4 by Materials Project
Abstract
CrVO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There is two shorter (1.69 Å) and two longer (1.82 Å) V–O bond length. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are two shorter (1.99 Å) and four longer (2.04 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cr3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19418
- 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; VCrO4; Cr-O-V
- OSTI Identifier:
- 1194429
- DOI:
- https://doi.org/10.17188/1194429
Citation Formats
The Materials Project. Materials Data on VCrO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194429.
The Materials Project. Materials Data on VCrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194429
The Materials Project. 2020.
"Materials Data on VCrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194429. https://www.osti.gov/servlets/purl/1194429. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1194429,
title = {Materials Data on VCrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrVO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There is two shorter (1.69 Å) and two longer (1.82 Å) V–O bond length. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are two shorter (1.99 Å) and four longer (2.04 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Cr3+ atom.},
doi = {10.17188/1194429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}