U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2AlFeO4 by Materials Project
Abstract
Li2FeAlO4 is Stannite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent FeO4 tetrahedra, corners with four equivalent AlO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.04 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is two shorter (1.91 Å) and two longer (1.92 Å) Fe–O bond length. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is three shorter (1.79 Å) and one longer (1.80 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Fe3+, and one Al3+ atom to form a mixture of edge and corner-sharing OLi2AlFe tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+, one Fe3+, and one Al3+ atom to formmore »
- Publication Date:
- Other Number(s):
- mp-770629
- 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; Al-Fe-Li-O; Li2AlFeO4; crystal structure
- OSTI Identifier:
- 1299943
- DOI:
- https://doi.org/10.17188/1299943
Citation Formats
Materials Data on Li2AlFeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299943.
Materials Data on Li2AlFeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1299943
2020.
"Materials Data on Li2AlFeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1299943. https://www.osti.gov/servlets/purl/1299943. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1299943,
title = {Materials Data on Li2AlFeO4 by Materials Project},
abstractNote = {Li2FeAlO4 is Stannite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent FeO4 tetrahedra, corners with four equivalent AlO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.04 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is two shorter (1.91 Å) and two longer (1.92 Å) Fe–O bond length. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is three shorter (1.79 Å) and one longer (1.80 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Fe3+, and one Al3+ atom to form a mixture of edge and corner-sharing OLi2AlFe tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+, one Fe3+, and one Al3+ atom to form corner-sharing OLi2AlFe tetrahedra. In the third O2- site, O2- is bonded to two equivalent Li1+, one Fe3+, and one Al3+ atom to form corner-sharing OLi2AlFe tetrahedra.},
doi = {10.17188/1299943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}