U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiFe2SiO4 by Materials Project
Abstract
LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. Fe is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 2.01–2.35 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two equivalent Fe, and one Si atom. In the second O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form distorted corner-sharing OLiFe2Si trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1211190
- 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-Si; LiFe2SiO4; crystal structure
- OSTI Identifier:
- 1731895
- DOI:
- https://doi.org/10.17188/1731895
Citation Formats
Materials Data on LiFe2SiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731895.
Materials Data on LiFe2SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1731895
2020.
"Materials Data on LiFe2SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1731895. https://www.osti.gov/servlets/purl/1731895. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1731895,
title = {Materials Data on LiFe2SiO4 by Materials Project},
abstractNote = {LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. Fe is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 2.01–2.35 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two equivalent Fe, and one Si atom. In the second O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form distorted corner-sharing OLiFe2Si trigonal pyramids.},
doi = {10.17188/1731895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}