U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Fe(WO4)2 by Materials Project
Abstract
Li2Fe(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.37 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent FeO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are a spread of W–O bond distances ranging from 1.82–2.22 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are a spread of Fe–O bond distances ranging from 2.10–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+, one W6+, and one Fe2+ atom to form a mixture of distorted corner and edge-sharing OLi2FeW trigonal pyramids. In the third O2- site, O2- is bonded to one Li1+, two equivalent W6+, and one Fe2+ atom to form a mixturemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210849
- 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; Li2Fe(WO4)2; Fe-Li-O-W
- OSTI Identifier:
- 1687951
- DOI:
- https://doi.org/10.17188/1687951
Citation Formats
The Materials Project. Materials Data on Li2Fe(WO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687951.
The Materials Project. Materials Data on Li2Fe(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687951
The Materials Project. 2020.
"Materials Data on Li2Fe(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1687951. https://www.osti.gov/servlets/purl/1687951. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1687951,
title = {Materials Data on Li2Fe(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Fe(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.37 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent FeO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are a spread of W–O bond distances ranging from 1.82–2.22 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are a spread of Fe–O bond distances ranging from 2.10–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+, one W6+, and one Fe2+ atom to form a mixture of distorted corner and edge-sharing OLi2FeW trigonal pyramids. In the third O2- site, O2- is bonded to one Li1+, two equivalent W6+, and one Fe2+ atom to form a mixture of distorted corner and edge-sharing OLiFeW2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Fe2+ atom.},
doi = {10.17188/1687951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}