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Title: Materials Data on Li2VBO4 by Materials Project

Abstract

Li2VBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent VO4 tetrahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.89–2.01 Å. V3+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.89–2.02 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.49–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one V3+, and one B3+ atom. In the second O2- site, O2- is bonded in a tetrahedral geometry to two equivalent Li1+, one V3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distortedmore » rectangular see-saw-like geometry to two equivalent Li1+, one V3+, and one B3+ atom.« less

Publication Date:
Other Number(s):
mp-770346
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; Li2VBO4; B-Li-O-V
OSTI Identifier:
1299708
DOI:
10.17188/1299708

Citation Formats

The Materials Project. Materials Data on Li2VBO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299708.
The Materials Project. Materials Data on Li2VBO4 by Materials Project. United States. doi:10.17188/1299708.
The Materials Project. 2020. "Materials Data on Li2VBO4 by Materials Project". United States. doi:10.17188/1299708. https://www.osti.gov/servlets/purl/1299708. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1299708,
title = {Materials Data on Li2VBO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2VBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent VO4 tetrahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.89–2.01 Å. V3+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.89–2.02 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.49–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one V3+, and one B3+ atom. In the second O2- site, O2- is bonded in a tetrahedral geometry to two equivalent Li1+, one V3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one V3+, and one B3+ atom.},
doi = {10.17188/1299708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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