U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAg2F4 by Materials Project
Abstract
LiAg2F4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent AgF6 pentagonal pyramids and an edgeedge with one AgF6 pentagonal pyramid. There are a spread of Li–F bond distances ranging from 1.86–1.93 Å. There are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form distorted AgF6 pentagonal pyramids that share corners with four equivalent LiF4 tetrahedra, edges with two equivalent AgF6 pentagonal pyramids, and an edgeedge with one LiF4 tetrahedra. There are a spread of Ag–F bond distances ranging from 2.21–2.65 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.17–2.28 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two Ag+1.50+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ andmore »
- Publication Date:
- Other Number(s):
- mp-762029
- 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; LiAg2F4; crystal structure
- OSTI Identifier:
- 1292414
- DOI:
- https://doi.org/10.17188/1292414
Citation Formats
Materials Data on LiAg2F4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292414.
Materials Data on LiAg2F4 by Materials Project. United States. doi:https://doi.org/10.17188/1292414
2020.
"Materials Data on LiAg2F4 by Materials Project". United States. doi:https://doi.org/10.17188/1292414. https://www.osti.gov/servlets/purl/1292414. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1292414,
title = {Materials Data on LiAg2F4 by Materials Project},
abstractNote = {LiAg2F4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent AgF6 pentagonal pyramids and an edgeedge with one AgF6 pentagonal pyramid. There are a spread of Li–F bond distances ranging from 1.86–1.93 Å. There are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form distorted AgF6 pentagonal pyramids that share corners with four equivalent LiF4 tetrahedra, edges with two equivalent AgF6 pentagonal pyramids, and an edgeedge with one LiF4 tetrahedra. There are a spread of Ag–F bond distances ranging from 2.21–2.65 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.17–2.28 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two Ag+1.50+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two Ag+1.50+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and three Ag+1.50+ atoms.},
doi = {10.17188/1292414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}