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Title: Materials Data on LiBO4 by Materials Project

Abstract

LiBO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.05 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.45 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Li and one B atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Li and one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Li and one B atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Li and one B atom.

Publication Date:
Other Number(s):
mp-1211209
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; LiBO4; B-Li-O
OSTI Identifier:
1743915
DOI:
https://doi.org/10.17188/1743915

Citation Formats

The Materials Project. Materials Data on LiBO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743915.
The Materials Project. Materials Data on LiBO4 by Materials Project. United States. doi:https://doi.org/10.17188/1743915
The Materials Project. 2020. "Materials Data on LiBO4 by Materials Project". United States. doi:https://doi.org/10.17188/1743915. https://www.osti.gov/servlets/purl/1743915. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1743915,
title = {Materials Data on LiBO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.05 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.45 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Li and one B atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Li and one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Li and one B atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Li and one B atom.},
doi = {10.17188/1743915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}