Materials Data on LiFeOF by Materials Project
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°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1302724
- Report Number(s):
- mp-775022
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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