Materials Data on LiFeSiO4 by Materials Project
Abstract
LiFeSiO4 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three LiFeSiO4 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.03 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.81 Å) and three longer (1.93 Å) Fe–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Fe3+ and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-762632
- 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; LiFeSiO4; Fe-Li-O-Si
- OSTI Identifier:
- 1292796
- DOI:
- https://doi.org/10.17188/1292796
Citation Formats
The Materials Project. Materials Data on LiFeSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292796.
The Materials Project. Materials Data on LiFeSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1292796
The Materials Project. 2020.
"Materials Data on LiFeSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1292796. https://www.osti.gov/servlets/purl/1292796. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1292796,
title = {Materials Data on LiFeSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeSiO4 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three LiFeSiO4 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.03 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.81 Å) and three longer (1.93 Å) Fe–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Fe3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Fe3+ and one Si4+ atom.},
doi = {10.17188/1292796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}