U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2MnWO6 by Materials Project
Abstract
Li2WMnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.03 Å) and three longer (2.26 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.99 Å) and three longer (2.43 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.92 Å) and three longer (1.97 Å) W–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.91 Å) and three longer (1.95 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one W6+, and one Mn4+ atom to form a mixture of distorted corner and edge-sharing OLi2MnW tetrahedra. In the second O2-more »
- Publication Date:
- Other Number(s):
- mp-776740
- 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; crystal structure; Li-Mn-O-W; Li2MnWO6
- OSTI Identifier:
- 1304412
- DOI:
- https://doi.org/10.17188/1304412
Citation Formats
Materials Data on Li2MnWO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1304412.
Materials Data on Li2MnWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1304412
2020.
"Materials Data on Li2MnWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1304412. https://www.osti.gov/servlets/purl/1304412. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1304412,
title = {Materials Data on Li2MnWO6 by Materials Project},
abstractNote = {Li2WMnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.03 Å) and three longer (2.26 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.99 Å) and three longer (2.43 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.92 Å) and three longer (1.97 Å) W–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.91 Å) and three longer (1.95 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one W6+, and one Mn4+ atom to form a mixture of distorted corner and edge-sharing OLi2MnW tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one W6+, and one Mn4+ atom.},
doi = {10.17188/1304412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}