Materials Data on LiFeOF by Materials Project
Abstract
LiFeOF is alpha Po-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Li1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form LiO2F4 octahedra that share corners with six equivalent LiO2F4 octahedra, edges with four equivalent LiO2F4 octahedra, and edges with eight equivalent FeO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (2.22 Å) and one longer (2.29 Å) Li–O bond lengths. All Li–F bond lengths are 2.10 Å. Fe2+ is bonded to four equivalent O2- and two equivalent F1- atoms to form FeO4F2 octahedra that share corners with six equivalent FeO4F2 octahedra, edges with four equivalent FeO4F2 octahedra, and edges with eight equivalent LiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Fe–O bond lengths are 2.10 Å. There are one shorter (2.25 Å) and one longer (2.26 Å) Fe–F bond lengths. O2- is bonded to two equivalent Li1+ and four equivalent Fe2+ atoms to form OLi2Fe4 octahedra that share corners with six equivalent OLi2Fe4 octahedra, edges with four equivalent OLi2Fe4 octahedra, and edges with eight equivalent FLi4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. F1- is bonded to four equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-775022
- 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; LiFeOF; F-Fe-Li-O
- OSTI Identifier:
- 1302724
- DOI:
- https://doi.org/10.17188/1302724
Citation Formats
The Materials Project. Materials Data on LiFeOF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302724.
The Materials Project. Materials Data on LiFeOF by Materials Project. United States. doi:https://doi.org/10.17188/1302724
The Materials Project. 2020.
"Materials Data on LiFeOF by Materials Project". United States. doi:https://doi.org/10.17188/1302724. https://www.osti.gov/servlets/purl/1302724. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1302724,
title = {Materials Data on LiFeOF by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeOF is alpha Po-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Li1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form LiO2F4 octahedra that share corners with six equivalent LiO2F4 octahedra, edges with four equivalent LiO2F4 octahedra, and edges with eight equivalent FeO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (2.22 Å) and one longer (2.29 Å) Li–O bond lengths. All Li–F bond lengths are 2.10 Å. Fe2+ is bonded to four equivalent O2- and two equivalent F1- atoms to form FeO4F2 octahedra that share corners with six equivalent FeO4F2 octahedra, edges with four equivalent FeO4F2 octahedra, and edges with eight equivalent LiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Fe–O bond lengths are 2.10 Å. There are one shorter (2.25 Å) and one longer (2.26 Å) Fe–F bond lengths. O2- is bonded to two equivalent Li1+ and four equivalent Fe2+ atoms to form OLi2Fe4 octahedra that share corners with six equivalent OLi2Fe4 octahedra, edges with four equivalent OLi2Fe4 octahedra, and edges with eight equivalent FLi4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. F1- is bonded to four equivalent Li1+ and two equivalent Fe2+ atoms to form FLi4Fe2 octahedra that share corners with six equivalent FLi4Fe2 octahedra, edges with four equivalent FLi4Fe2 octahedra, and edges with eight equivalent OLi2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1302724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}