U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3(FeO3)2 by Materials Project
Abstract
Li3(FeO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with four FeO6 octahedra, edges with four FeO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–13°. There are a spread of Li–O bond distances ranging from 1.95–2.23 Å. In the second Li site, Li is bonded to six O atoms to form distorted LiO6 octahedra that share corners with four FeO6 octahedra, edges with four FeO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There are a spread of Li–O bond distances ranging from 2.01–2.34 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent FeO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–14°. There is four shorter (1.92 Å) and two longer (1.94 Å) Fe–O bond length. In the second Fe site, Fe is bonded tomore »
- Publication Date:
- Other Number(s):
- mp-1177753
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Li-O; Li3(FeO3)2; crystal structure
- OSTI Identifier:
- 1723648
- DOI:
- https://doi.org/10.17188/1723648
Citation Formats
Materials Data on Li3(FeO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723648.
Materials Data on Li3(FeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723648
2020.
"Materials Data on Li3(FeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723648. https://www.osti.gov/servlets/purl/1723648. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1723648,
title = {Materials Data on Li3(FeO3)2 by Materials Project},
abstractNote = {Li3(FeO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with four FeO6 octahedra, edges with four FeO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–13°. There are a spread of Li–O bond distances ranging from 1.95–2.23 Å. In the second Li site, Li is bonded to six O atoms to form distorted LiO6 octahedra that share corners with four FeO6 octahedra, edges with four FeO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There are a spread of Li–O bond distances ranging from 2.01–2.34 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent FeO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–14°. There is four shorter (1.92 Å) and two longer (1.94 Å) Fe–O bond length. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent FeO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There is four shorter (1.94 Å) and two longer (1.97 Å) Fe–O bond length. There are three inequivalent O sites. In the first O site, O is bonded to three Li and two Fe atoms to form a mixture of edge and corner-sharing OLi3Fe2 square pyramids. In the second O site, O is bonded to three Li and two Fe atoms to form a mixture of edge and corner-sharing OLi3Fe2 square pyramids. In the third O site, O is bonded to three Li and two Fe atoms to form a mixture of edge and corner-sharing OLi3Fe2 square pyramids.},
doi = {10.17188/1723648},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 04:00:00 UTC 2020},
month = {Tue May 05 04:00:00 UTC 2020}
}