U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCrO3 by Materials Project
Abstract
LiCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent O2- atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Li–O bond lengths are 2.60 Å. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.84 Å. O2- is bonded in a distorted linear geometry to four equivalent Li1+ and two equivalent Cr5+ atoms.
- Publication Date:
- Other Number(s):
- mp-1185311
- 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; Cr-Li-O; LiCrO3; crystal structure
- OSTI Identifier:
- 1758470
- DOI:
- https://doi.org/10.17188/1758470
Citation Formats
Materials Data on LiCrO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758470.
Materials Data on LiCrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1758470
2020.
"Materials Data on LiCrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1758470. https://www.osti.gov/servlets/purl/1758470. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758470,
title = {Materials Data on LiCrO3 by Materials Project},
abstractNote = {LiCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent O2- atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Li–O bond lengths are 2.60 Å. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.84 Å. O2- is bonded in a distorted linear geometry to four equivalent Li1+ and two equivalent Cr5+ atoms.},
doi = {10.17188/1758470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}