U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiTa2CuO6 by Materials Project
Abstract
LiTa2CuO6 is Hydrophilite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.00 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are three shorter (2.00 Å) and three longer (2.02 Å) Ta–O bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Cu–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ta5+ atoms.
- Publication Date:
- Other Number(s):
- mp-755367
- 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; Cu-Li-O-Ta; LiTa2CuO6; crystal structure
- OSTI Identifier:
- 1289962
- DOI:
- https://doi.org/10.17188/1289962
Citation Formats
Materials Data on LiTa2CuO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289962.
Materials Data on LiTa2CuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1289962
2020.
"Materials Data on LiTa2CuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1289962. https://www.osti.gov/servlets/purl/1289962. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1289962,
title = {Materials Data on LiTa2CuO6 by Materials Project},
abstractNote = {LiTa2CuO6 is Hydrophilite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.00 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are three shorter (2.00 Å) and three longer (2.02 Å) Ta–O bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Cu–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1289962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}