U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMnF4 by Materials Project
Abstract
LiMnF4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with six equivalent MnF6 octahedra, and an edgeedge with one MnF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Li–F bond distances ranging from 2.05–2.25 Å. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF6 octahedra, an edgeedge with one LiF6 octahedra, and edges with two equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Mn–F bond distances ranging from 1.86–2.18 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Mn3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-763199
- 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; LiMnF4; F-Li-Mn
- OSTI Identifier:
- 1293293
- DOI:
- https://doi.org/10.17188/1293293
Citation Formats
The Materials Project. Materials Data on LiMnF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293293.
The Materials Project. Materials Data on LiMnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1293293
The Materials Project. 2020.
"Materials Data on LiMnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1293293. https://www.osti.gov/servlets/purl/1293293. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1293293,
title = {Materials Data on LiMnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnF4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with six equivalent MnF6 octahedra, and an edgeedge with one MnF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Li–F bond distances ranging from 2.05–2.25 Å. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF6 octahedra, an edgeedge with one LiF6 octahedra, and edges with two equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Mn–F bond distances ranging from 1.86–2.18 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Mn3+ atom.},
doi = {10.17188/1293293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}