Materials Data on BaMnO3 by Materials Project
Abstract
BaMnO3 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 MnO6 octahedra. All Ba–O bond lengths are 2.85 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Mn4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1016852
- 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; BaMnO3; Ba-Mn-O
- OSTI Identifier:
- 1349494
- DOI:
- https://doi.org/10.17188/1349494
Citation Formats
The Materials Project. Materials Data on BaMnO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349494.
The Materials Project. Materials Data on BaMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349494
The Materials Project. 2020.
"Materials Data on BaMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349494. https://www.osti.gov/servlets/purl/1349494. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1349494,
title = {Materials Data on BaMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaMnO3 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 MnO6 octahedra. All Ba–O bond lengths are 2.85 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Mn4+ atoms.},
doi = {10.17188/1349494},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}