U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3Fe3SbO8 by Materials Project
Abstract
Li3Fe3SbO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four LiO6 octahedra, and edges with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are a spread of Li–O bond distances ranging from 2.19–2.29 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are four shorter (2.16 Å) and two longer (2.19 Å) Li–O bond lengths. There are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four LiO6 octahedra, and edges with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. Theremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-772131
- 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; Li3Fe3SbO8; Fe-Li-O-Sb
- OSTI Identifier:
- 1301071
- DOI:
- https://doi.org/10.17188/1301071
Citation Formats
The Materials Project. Materials Data on Li3Fe3SbO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301071.
The Materials Project. Materials Data on Li3Fe3SbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1301071
The Materials Project. 2020.
"Materials Data on Li3Fe3SbO8 by Materials Project". United States. doi:https://doi.org/10.17188/1301071. https://www.osti.gov/servlets/purl/1301071. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1301071,
title = {Materials Data on Li3Fe3SbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Fe3SbO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four LiO6 octahedra, and edges with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are a spread of Li–O bond distances ranging from 2.19–2.29 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are four shorter (2.16 Å) and two longer (2.19 Å) Li–O bond lengths. There are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four LiO6 octahedra, and edges with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are a spread of Fe–O bond distances ranging from 2.02–2.12 Å. In the second Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are four shorter (2.16 Å) and two longer (2.17 Å) Fe–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share edges with six LiO6 octahedra and edges with six FeO6 octahedra. There are four shorter (2.00 Å) and two longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and three Fe+2.67+ atoms to form OLi3Fe3 octahedra that share corners with six equivalent OLi3Fe3 octahedra and edges with twelve OLi2Fe2Sb square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two Li1+, two Fe+2.67+, and one Sb5+ atom to form OLi2Fe2Sb square pyramids that share corners with nine OLi2Fe2Sb square pyramids, edges with four equivalent OLi3Fe3 octahedra, and edges with four OLi2Fe2Sb square pyramids. In the third O2- site, O2- is bonded to two equivalent Li1+, two equivalent Fe+2.67+, and one Sb5+ atom to form OLi2Fe2Sb square pyramids that share corners with nine OLi2Fe2Sb square pyramids, edges with four equivalent OLi3Fe3 octahedra, and edges with four equivalent OLi2Fe2Sb square pyramids.},
doi = {10.17188/1301071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}