U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Mn5F17 by Materials Project
Abstract
LiLi3Mn10F34 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four litio molecules and one Li3Mn10F34 framework. In the Li3Mn10F34 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a water-like geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.92 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (1.99 Å) and two longer (2.09 Å) Li–F bond lengths. There are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 34–47°. There are a spread of Mn–F bond distances ranging from 1.82–2.00 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 25–39°. There are a spread of Mn–F bond distances ranging from 1.94–2.07 Å. In the third Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 34–47°. There are a spread of Mn–F bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764892
- 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; Li2Mn5F17; F-Li-Mn
- OSTI Identifier:
- 1295426
- DOI:
- https://doi.org/10.17188/1295426
Citation Formats
The Materials Project. Materials Data on Li2Mn5F17 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1295426.
The Materials Project. Materials Data on Li2Mn5F17 by Materials Project. United States. doi:https://doi.org/10.17188/1295426
The Materials Project. 2014.
"Materials Data on Li2Mn5F17 by Materials Project". United States. doi:https://doi.org/10.17188/1295426. https://www.osti.gov/servlets/purl/1295426. Pub date:Fri Feb 14 00:00:00 EST 2014
@article{osti_1295426,
title = {Materials Data on Li2Mn5F17 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLi3Mn10F34 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four litio molecules and one Li3Mn10F34 framework. In the Li3Mn10F34 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a water-like geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.92 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (1.99 Å) and two longer (2.09 Å) Li–F bond lengths. There are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 34–47°. There are a spread of Mn–F bond distances ranging from 1.82–2.00 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 25–39°. There are a spread of Mn–F bond distances ranging from 1.94–2.07 Å. In the third Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 34–47°. There are a spread of Mn–F bond distances ranging from 1.82–2.11 Å. There are thirteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn3+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn3+ atoms. In the twelfth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Mn3+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn3+ atoms.},
doi = {10.17188/1295426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Feb 14 00:00:00 EST 2014},
month = {Fri Feb 14 00:00:00 EST 2014}
}