U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAlCrO3 by Materials Project
Abstract
LiCrAlO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent AlO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.16 Å. Cr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 2.05–2.07 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six equivalent LiO4 tetrahedra and an edgeedge with one AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Cr2+, and one Al3+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Cr2+, and one Al3+ atom to form distorted edge-sharing OLiAlCr2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-770544
- 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; Al-Cr-Li-O; LiAlCrO3; crystal structure
- OSTI Identifier:
- 1299861
- DOI:
- https://doi.org/10.17188/1299861
Citation Formats
Materials Data on LiAlCrO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299861.
Materials Data on LiAlCrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1299861
2020.
"Materials Data on LiAlCrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1299861. https://www.osti.gov/servlets/purl/1299861. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1299861,
title = {Materials Data on LiAlCrO3 by Materials Project},
abstractNote = {LiCrAlO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent AlO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.16 Å. Cr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 2.05–2.07 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six equivalent LiO4 tetrahedra and an edgeedge with one AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Cr2+, and one Al3+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Cr2+, and one Al3+ atom to form distorted edge-sharing OLiAlCr2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Al3+ atoms.},
doi = {10.17188/1299861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}