U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2LiOsO6 by Materials Project
Abstract
Ba2LiOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.19 Å. 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, faces with four equivalent LiO6 octahedra, and faces with four equivalent OsO6 octahedra. All Ba–O bond lengths are 2.91 Å. Os7+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Li1+, four equivalent Ba2+, and one Os7+ atom.
- Publication Date:
- Other Number(s):
- mp-10584
- 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-Li-O-Os; Ba2LiOsO6; crystal structure
- OSTI Identifier:
- 1187213
- DOI:
- https://doi.org/10.17188/1187213
Citation Formats
Materials Data on Ba2LiOsO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187213.
Materials Data on Ba2LiOsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1187213
2020.
"Materials Data on Ba2LiOsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1187213. https://www.osti.gov/servlets/purl/1187213. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187213,
title = {Materials Data on Ba2LiOsO6 by Materials Project},
abstractNote = {Ba2LiOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.19 Å. 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, faces with four equivalent LiO6 octahedra, and faces with four equivalent OsO6 octahedra. All Ba–O bond lengths are 2.91 Å. Os7+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Li1+, four equivalent Ba2+, and one Os7+ atom.},
doi = {10.17188/1187213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}