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Title: Materials Data on LiVTeO5 by Materials Project

Abstract

LiVTeO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 trigonal pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent LiO4 trigonal pyramids. There are a spread of V–O bond distances ranging from 1.66–1.88 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.81–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one V5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded inmore » a bent 120 degrees geometry to one V5+ and one Te4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631247
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; LiVTeO5; Li-O-Te-V
OSTI Identifier:
1279035
DOI:
10.17188/1279035

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiVTeO5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1279035.
Persson, Kristin, & Project, Materials. Materials Data on LiVTeO5 by Materials Project. United States. doi:10.17188/1279035.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on LiVTeO5 by Materials Project". United States. doi:10.17188/1279035. https://www.osti.gov/servlets/purl/1279035. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1279035,
title = {Materials Data on LiVTeO5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiVTeO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 trigonal pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent LiO4 trigonal pyramids. There are a spread of V–O bond distances ranging from 1.66–1.88 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.81–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one V5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Te4+ atom.},
doi = {10.17188/1279035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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