U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAg2F6 by Materials Project
Abstract
LiAg2F6 is Hydrophilite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight AgF6 octahedra and edges with two AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Li–F bond distances ranging from 2.08–2.23 Å. There are two inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ag–F bond distances ranging from 2.10–2.22 Å. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ag–F bond distances ranging from 2.12–2.18 Å. There are three inequivalent F1- sites. In themore »
- Publication Date:
- Other Number(s):
- mp-753881
- 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; Ag-F-Li; LiAg2F6; crystal structure
- OSTI Identifier:
- 1289172
- DOI:
- https://doi.org/10.17188/1289172
Citation Formats
Materials Data on LiAg2F6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289172.
Materials Data on LiAg2F6 by Materials Project. United States. doi:https://doi.org/10.17188/1289172
2020.
"Materials Data on LiAg2F6 by Materials Project". United States. doi:https://doi.org/10.17188/1289172. https://www.osti.gov/servlets/purl/1289172. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289172,
title = {Materials Data on LiAg2F6 by Materials Project},
abstractNote = {LiAg2F6 is Hydrophilite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight AgF6 octahedra and edges with two AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Li–F bond distances ranging from 2.08–2.23 Å. There are two inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ag–F bond distances ranging from 2.10–2.22 Å. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ag–F bond distances ranging from 2.12–2.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ag+2.50+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.50+ atoms.},
doi = {10.17188/1289172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}