U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMn2F7 by Materials Project
Abstract
LiMn2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.92–2.39 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of Mn–F bond distances ranging from 1.83–2.21 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of Mn–F bond distances ranging from 1.83–2.30 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two Mn3+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two Mn3+ atoms. In the third F1- site, F1- is bonded in a water-like geometry to one Li1+ and one Mn3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonalmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1176671
- 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; LiMn2F7; F-Li-Mn
- OSTI Identifier:
- 1732499
- DOI:
- https://doi.org/10.17188/1732499
Citation Formats
The Materials Project. Materials Data on LiMn2F7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1732499.
The Materials Project. Materials Data on LiMn2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1732499
The Materials Project. 2019.
"Materials Data on LiMn2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1732499. https://www.osti.gov/servlets/purl/1732499. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1732499,
title = {Materials Data on LiMn2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMn2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.92–2.39 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of Mn–F bond distances ranging from 1.83–2.21 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 16–51°. There are a spread of Mn–F bond distances ranging from 1.83–2.30 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two Mn3+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two Mn3+ atoms. In the third F1- site, F1- is bonded in a water-like geometry to one Li1+ and one Mn3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two Mn3+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two Mn3+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn3+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to two Mn3+ atoms.},
doi = {10.17188/1732499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}