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Title: Materials Data on BaCeO3 by Materials Project

Abstract

BaCeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent CeO6 octahedra. All Ba–O bond lengths are 3.16 Å. Ce4+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent CeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.24 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ce4+ atoms.

Publication Date:
Other Number(s):
mp-5663
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; BaCeO3; Ba-Ce-O
OSTI Identifier:
1272884
DOI:
10.17188/1272884

Citation Formats

The Materials Project. Materials Data on BaCeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272884.
The Materials Project. Materials Data on BaCeO3 by Materials Project. United States. doi:10.17188/1272884.
The Materials Project. 2020. "Materials Data on BaCeO3 by Materials Project". United States. doi:10.17188/1272884. https://www.osti.gov/servlets/purl/1272884. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1272884,
title = {Materials Data on BaCeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent CeO6 octahedra. All Ba–O bond lengths are 3.16 Å. Ce4+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent CeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.24 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ce4+ atoms.},
doi = {10.17188/1272884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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