U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMn(PO3)3 by Materials Project
Abstract
LiMn(PO3)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent MnO6 octahedra. There are three shorter (2.08 Å) and three longer (2.33 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent LiO6 octahedra. There are three shorter (2.27 Å) and three longer (2.49 Å) Mn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–70°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn2+, and one P5+ atom. In the third O2- site, O2- ismore »
- Publication Date:
- Other Number(s):
- mp-762794
- 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-P; LiMn(PO3)3; crystal structure
- OSTI Identifier:
- 1292923
- DOI:
- https://doi.org/10.17188/1292923
Citation Formats
Materials Data on LiMn(PO3)3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1292923.
Materials Data on LiMn(PO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1292923
2017.
"Materials Data on LiMn(PO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1292923. https://www.osti.gov/servlets/purl/1292923. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1292923,
title = {Materials Data on LiMn(PO3)3 by Materials Project},
abstractNote = {LiMn(PO3)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent MnO6 octahedra. There are three shorter (2.08 Å) and three longer (2.33 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent LiO6 octahedra. There are three shorter (2.27 Å) and three longer (2.49 Å) Mn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–70°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn2+, and one P5+ atom.},
doi = {10.17188/1292923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}