U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2TbF6 by Materials Project
Abstract
Li2TbF6 crystallizes in the monoclinic P2_1/c 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 F1- atoms. There are a spread of Li–F bond distances ranging from 1.99–2.46 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.86–1.92 Å. Tb4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tb–F bond distances ranging from 2.25–2.46 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and two equivalent Tb4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Tb4+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Li1+ and one Tb4+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Tb4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalentmore »
- Publication Date:
- Other Number(s):
- mp-4246
- 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; F-Li-Tb; Li2TbF6; crystal structure
- OSTI Identifier:
- 1207996
- DOI:
- https://doi.org/10.17188/1207996
Citation Formats
Materials Data on Li2TbF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207996.
Materials Data on Li2TbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1207996
2020.
"Materials Data on Li2TbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1207996. https://www.osti.gov/servlets/purl/1207996. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1207996,
title = {Materials Data on Li2TbF6 by Materials Project},
abstractNote = {Li2TbF6 crystallizes in the monoclinic P2_1/c 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 F1- atoms. There are a spread of Li–F bond distances ranging from 1.99–2.46 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.86–1.92 Å. Tb4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tb–F bond distances ranging from 2.25–2.46 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and two equivalent Tb4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Tb4+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Li1+ and one Tb4+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Tb4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Tb4+ atoms. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and one Tb4+ atom.},
doi = {10.17188/1207996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}