DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TiVO4 by Materials Project

Abstract

VTiO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four equivalent VO6 octahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ti–O bond distances ranging from 1.92–2.02 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four equivalent VO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of V–O bond distances ranging from 1.92–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent V4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one V4+ atom.

Publication Date:
Other Number(s):
mp-761341
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiVO4; O-Ti-V
OSTI Identifier:
1291837
DOI:
https://doi.org/10.17188/1291837

Citation Formats

The Materials Project. Materials Data on TiVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291837.
The Materials Project. Materials Data on TiVO4 by Materials Project. United States. doi:https://doi.org/10.17188/1291837
The Materials Project. 2020. "Materials Data on TiVO4 by Materials Project". United States. doi:https://doi.org/10.17188/1291837. https://www.osti.gov/servlets/purl/1291837. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1291837,
title = {Materials Data on TiVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {VTiO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four equivalent VO6 octahedra, and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ti–O bond distances ranging from 1.92–2.02 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four equivalent VO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of V–O bond distances ranging from 1.92–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent V4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one V4+ atom.},
doi = {10.17188/1291837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}