skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaBiO3 by Materials Project

Abstract

BaBiO3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. 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 BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 3.07–3.21 Å. Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Bi–O bond lengths are 2.22 Å. O is bonded to four equivalent Ba and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.

Publication Date:
Other Number(s):
mp-1227955
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; BaBiO3; Ba-Bi-O
OSTI Identifier:
1685973
DOI:
https://doi.org/10.17188/1685973

Citation Formats

The Materials Project. Materials Data on BaBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685973.
The Materials Project. Materials Data on BaBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685973
The Materials Project. 2020. "Materials Data on BaBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685973. https://www.osti.gov/servlets/purl/1685973. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685973,
title = {Materials Data on BaBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaBiO3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. 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 BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 3.07–3.21 Å. Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Bi–O bond lengths are 2.22 Å. O is bonded to four equivalent Ba and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.},
doi = {10.17188/1685973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}