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Title: 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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690490
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:
1284496
DOI:
10.17188/1284496

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TiVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284496.
Persson, Kristin, & Project, Materials. Materials Data on TiVO4 by Materials Project. United States. doi:10.17188/1284496.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TiVO4 by Materials Project". United States. doi: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 = {Persson, Kristin and Project, Materials},
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}
}

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