U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiVO4 by Materials Project
Abstract
VTiO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Ti–O bond lengths are 1.98 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent TiO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There is two shorter (1.94 Å) and four longer (1.97 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one V4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent V4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-690490
- 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; TiVO4; O-Ti-V
- OSTI Identifier:
- 1284496
- DOI:
- https://doi.org/10.17188/1284496
Citation Formats
The Materials Project. Materials Data on TiVO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284496.
The Materials Project. Materials Data on TiVO4 by Materials Project. United States. doi:https://doi.org/10.17188/1284496
The Materials Project. 2020.
"Materials Data on TiVO4 by Materials Project". United States. doi:https://doi.org/10.17188/1284496. https://www.osti.gov/servlets/purl/1284496. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1284496,
title = {Materials Data on TiVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {VTiO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Ti–O bond lengths are 1.98 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent TiO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There is two shorter (1.94 Å) and four longer (1.97 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one V4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent V4+ atoms.},
doi = {10.17188/1284496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}