U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMnO4 by Materials Project
Abstract
LiMnO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are two shorter (2.11 Å) and four longer (2.20 Å) Li–O bond lengths. Mn7+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There is two shorter (1.61 Å) and two longer (1.63 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Mn7+ atom.
- Publication Date:
- Other Number(s):
- mp-19438
- 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; Li-Mn-O; LiMnO4; crystal structure
- OSTI Identifier:
- 1194451
- DOI:
- https://doi.org/10.17188/1194451
Citation Formats
Materials Data on LiMnO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194451.
Materials Data on LiMnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194451
2020.
"Materials Data on LiMnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194451. https://www.osti.gov/servlets/purl/1194451. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194451,
title = {Materials Data on LiMnO4 by Materials Project},
abstractNote = {LiMnO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are two shorter (2.11 Å) and four longer (2.20 Å) Li–O bond lengths. Mn7+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There is two shorter (1.61 Å) and two longer (1.63 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Mn7+ atom.},
doi = {10.17188/1194451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}