U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Fe3CuO8 by Materials Project
Abstract
Li2Fe3CuO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent CuO6 octahedra and corners with nine equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 58–59°. There is one shorter (1.96 Å) and three longer (2.00 Å) Li–O bond length. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four equivalent FeO6 octahedra. There are two shorter (2.01 Å) and four longer (2.02 Å) Fe–O bond lengths. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Cu–O bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O is bonded to one Li and three equivalent Fe atoms to form distorted OLiFe3 trigonal pyramids that share corners with twelve OLiFe3 trigonal pyramids and edges with three equivalent OLiFe2Cu trigonal pyramids. In the second O site, O is bonded to one Li, twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-772689
- 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; Li2Fe3CuO8; Cu-Fe-Li-O
- OSTI Identifier:
- 1301423
- DOI:
- https://doi.org/10.17188/1301423
Citation Formats
The Materials Project. Materials Data on Li2Fe3CuO8 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1301423.
The Materials Project. Materials Data on Li2Fe3CuO8 by Materials Project. United States. doi:https://doi.org/10.17188/1301423
The Materials Project. 2017.
"Materials Data on Li2Fe3CuO8 by Materials Project". United States. doi:https://doi.org/10.17188/1301423. https://www.osti.gov/servlets/purl/1301423. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1301423,
title = {Materials Data on Li2Fe3CuO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Fe3CuO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent CuO6 octahedra and corners with nine equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 58–59°. There is one shorter (1.96 Å) and three longer (2.00 Å) Li–O bond length. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four equivalent FeO6 octahedra. There are two shorter (2.01 Å) and four longer (2.02 Å) Fe–O bond lengths. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Cu–O bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O is bonded to one Li and three equivalent Fe atoms to form distorted OLiFe3 trigonal pyramids that share corners with twelve OLiFe3 trigonal pyramids and edges with three equivalent OLiFe2Cu trigonal pyramids. In the second O site, O is bonded to one Li, two equivalent Fe, and one Cu atom to form a mixture of distorted edge and corner-sharing OLiFe2Cu trigonal pyramids.},
doi = {10.17188/1301423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}