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Title: Materials Data on BaO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1323864· OSTI ID:1323864

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1323864
Report Number(s):
mp-1006878
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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