U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Mn(PO4)2 by Materials Project
Abstract
Li2Mn(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.47 Å. Mn4+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.94 Å) Mn–O bond length. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Mn4+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1177939
- 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; Li2Mn(PO4)2; Li-Mn-O-P
- OSTI Identifier:
- 1711192
- DOI:
- https://doi.org/10.17188/1711192
Citation Formats
The Materials Project. Materials Data on Li2Mn(PO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711192.
The Materials Project. Materials Data on Li2Mn(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711192
The Materials Project. 2020.
"Materials Data on Li2Mn(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711192. https://www.osti.gov/servlets/purl/1711192. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1711192,
title = {Materials Data on Li2Mn(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Mn(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.47 Å. Mn4+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.94 Å) Mn–O bond length. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Mn4+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one P5+ atom.},
doi = {10.17188/1711192},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}