U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3Mn2O5 by Materials Project
Abstract
Li3Mn2O5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Li3Mn2O5 sheet oriented in the (1, -1, 2) direction. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.18 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.06 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (1.97 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (2.01 Å) Li–O bond length. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.73–1.85 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1173947
- 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; Li3Mn2O5; Li-Mn-O
- OSTI Identifier:
- 1745115
- DOI:
- https://doi.org/10.17188/1745115
Citation Formats
The Materials Project. Materials Data on Li3Mn2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745115.
The Materials Project. Materials Data on Li3Mn2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1745115
The Materials Project. 2020.
"Materials Data on Li3Mn2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1745115. https://www.osti.gov/servlets/purl/1745115. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1745115,
title = {Materials Data on Li3Mn2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Mn2O5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Li3Mn2O5 sheet oriented in the (1, -1, 2) direction. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.18 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.06 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (1.97 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (2.01 Å) Li–O bond length. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.73–1.85 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.72–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Mn+3.50+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two equivalent Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Mn+3.50+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Mn+3.50+ atom.},
doi = {10.17188/1745115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}