Materials Data on VReO4 by Materials Project
Abstract
ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.01 Å) and four longer (2.02 Å) V–O bond lengths. Re3+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is two shorter (1.90 Å) and four longer (2.03 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V5+ and two equivalent Re3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V5+ and one Re3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216284
- 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; VReO4; O-Re-V
- OSTI Identifier:
- 1651720
- DOI:
- https://doi.org/10.17188/1651720
Citation Formats
The Materials Project. Materials Data on VReO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651720.
The Materials Project. Materials Data on VReO4 by Materials Project. United States. doi:https://doi.org/10.17188/1651720
The Materials Project. 2020.
"Materials Data on VReO4 by Materials Project". United States. doi:https://doi.org/10.17188/1651720. https://www.osti.gov/servlets/purl/1651720. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651720,
title = {Materials Data on VReO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.01 Å) and four longer (2.02 Å) V–O bond lengths. Re3+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is two shorter (1.90 Å) and four longer (2.03 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V5+ and two equivalent Re3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V5+ and one Re3+ atom.},
doi = {10.17188/1651720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}