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Title: Materials Data on BaLiO3 by Materials Project

Abstract

LiBaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.04 Å. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Ba–O bond lengths are 2.89 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Ba atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183284
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaLiO3; Ba-Li-O
OSTI Identifier:
1687078
DOI:
https://doi.org/10.17188/1687078

Citation Formats

The Materials Project. Materials Data on BaLiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687078.
The Materials Project. Materials Data on BaLiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1687078
The Materials Project. 2020. "Materials Data on BaLiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1687078. https://www.osti.gov/servlets/purl/1687078. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687078,
title = {Materials Data on BaLiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.04 Å. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Ba–O bond lengths are 2.89 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Ba atoms.},
doi = {10.17188/1687078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}