U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiFeO3 by Materials Project
Abstract
LiFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent O atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Li–O bond lengths are 2.67 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.89 Å. O is bonded in a linear geometry to four equivalent Li and two equivalent Fe atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185320
- 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; LiFeO3; Fe-Li-O
- OSTI Identifier:
- 1696203
- DOI:
- https://doi.org/10.17188/1696203
Citation Formats
The Materials Project. Materials Data on LiFeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1696203.
The Materials Project. Materials Data on LiFeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1696203
The Materials Project. 2020.
"Materials Data on LiFeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1696203. https://www.osti.gov/servlets/purl/1696203. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1696203,
title = {Materials Data on LiFeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent O atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Li–O bond lengths are 2.67 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.89 Å. O is bonded in a linear geometry to four equivalent Li and two equivalent Fe atoms.},
doi = {10.17188/1696203},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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