Title: Materials Data on Ba3PbO by Materials Project

Abstract

Ba3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ba–Pb bond lengths are 3.93 Å. Both Ba–O bond lengths are 2.78 Å. Pb is bonded to twelve equivalent Ba atoms to form PbBa12 cuboctahedra that share corners with twelve equivalent PbBa12 cuboctahedra, faces with six equivalent PbBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O is bonded to six equivalent Ba atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent PbBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-29242
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ba-O-Pb; Ba3PbO; crystal structure
OSTI Identifier:
1203622
DOI:
https://doi.org/10.17188/1203622

Citation Formats

Materials Data on Ba3PbO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203622.
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Materials Data on Ba3PbO by Materials Project. United States. doi:https://doi.org/10.17188/1203622
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2020. "Materials Data on Ba3PbO by Materials Project". United States. doi:https://doi.org/10.17188/1203622. https://www.osti.gov/servlets/purl/1203622. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1203622,
title = {Materials Data on Ba3PbO by Materials Project},
abstractNote = {Ba3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ba–Pb bond lengths are 3.93 Å. Both Ba–O bond lengths are 2.78 Å. Pb is bonded to twelve equivalent Ba atoms to form PbBa12 cuboctahedra that share corners with twelve equivalent PbBa12 cuboctahedra, faces with six equivalent PbBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O is bonded to six equivalent Ba atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent PbBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1203622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1203622
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