U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMnO2 by Materials Project
Abstract
LiMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MnO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Li–O bond distances ranging from 2.08–2.32 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Mn–O bond distances ranging from 1.94–2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Mn3+ atoms to form a mixture of edge and corner-sharing OLi4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. In the second O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Mn3+ atoms to form a mixture of edge and corner-sharing OLi2Mn4 octahedra.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18767
- 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; LiMnO2; Li-Mn-O
- OSTI Identifier:
- 1193463
- DOI:
- https://doi.org/10.17188/1193463
Citation Formats
The Materials Project. Materials Data on LiMnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193463.
The Materials Project. Materials Data on LiMnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1193463
The Materials Project. 2020.
"Materials Data on LiMnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1193463. https://www.osti.gov/servlets/purl/1193463. Pub date:Fri Apr 24 00:00:00 EDT 2020
@article{osti_1193463,
title = {Materials Data on LiMnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MnO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Li–O bond distances ranging from 2.08–2.32 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Mn–O bond distances ranging from 1.94–2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Mn3+ atoms to form a mixture of edge and corner-sharing OLi4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. In the second O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Mn3+ atoms to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedra tilt angles range from 1–11°.},
doi = {10.17188/1193463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Apr 24 00:00:00 EDT 2020},
month = {Fri Apr 24 00:00:00 EDT 2020}
}