U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Fe3O10 by Materials Project
Abstract
Li2Fe3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.91–2.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.85–1.91 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.72–2.02 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the third O site, O is bonded in a water-like geometry to one Li and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-763418
- 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; Li2Fe3O10; crystal structure
- OSTI Identifier:
- 1293500
- DOI:
- https://doi.org/10.17188/1293500
Citation Formats
Materials Data on Li2Fe3O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293500.
Materials Data on Li2Fe3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1293500
2020.
"Materials Data on Li2Fe3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1293500. https://www.osti.gov/servlets/purl/1293500. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1293500,
title = {Materials Data on Li2Fe3O10 by Materials Project},
abstractNote = {Li2Fe3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.91–2.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.85–1.91 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.72–2.02 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the third O site, O is bonded in a water-like geometry to one Li and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Fe atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Fe atoms.},
doi = {10.17188/1293500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}