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Title: Materials Data on BaO2 by Materials Project

Abstract

BaO2 is hexagonal omega structure structured and crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two BaO2 sheets oriented in the (0, 1, 0) direction. Ba is bonded to eight equivalent O atoms to form a mixture of edge and face-sharing BaO8 hexagonal bipyramids. All Ba–O bond lengths are 2.77 Å. O is bonded in a distorted pentagonal planar geometry to four equivalent Ba and one O atom. The O–O bond length is 1.52 Å.

Authors:
Publication Date:
Other Number(s):
mp-1006878
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; BaO2; Ba-O
OSTI Identifier:
1323864
DOI:
https://doi.org/10.17188/1323864

Citation Formats

The Materials Project. Materials Data on BaO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1323864.
The Materials Project. Materials Data on BaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1323864
The Materials Project. 2020. "Materials Data on BaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1323864. https://www.osti.gov/servlets/purl/1323864. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1323864,
title = {Materials Data on BaO2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaO2 is hexagonal omega structure structured and crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two BaO2 sheets oriented in the (0, 1, 0) direction. Ba is bonded to eight equivalent O atoms to form a mixture of edge and face-sharing BaO8 hexagonal bipyramids. All Ba–O bond lengths are 2.77 Å. O is bonded in a distorted pentagonal planar geometry to four equivalent Ba and one O atom. The O–O bond length is 1.52 Å.},
doi = {10.17188/1323864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}