U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAg3F8 by Materials Project
Abstract
LiAg3F8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.97–2.13 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (1.96 Å) and two longer (2.12 Å) Li–F bond lengths. There are six inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.80 Å. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.79 Å. In the third Ag+2.33+ site, Ag+2.33+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.03–2.52 Å. In the fourth Ag+2.33+ site, Ag+2.33+ is bonded in a distorted octahedral geometry to six F1- atoms. There are four shorter (2.03 Å) and two longer (2.51 Å) Ag–F bond lengths. In themore »
- Publication Date:
- Other Number(s):
- mp-867824
- 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; LiAg3F8; crystal structure
- OSTI Identifier:
- 1312191
- DOI:
- https://doi.org/10.17188/1312191
Citation Formats
Materials Data on LiAg3F8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312191.
Materials Data on LiAg3F8 by Materials Project. United States. doi:https://doi.org/10.17188/1312191
2020.
"Materials Data on LiAg3F8 by Materials Project". United States. doi:https://doi.org/10.17188/1312191. https://www.osti.gov/servlets/purl/1312191. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1312191,
title = {Materials Data on LiAg3F8 by Materials Project},
abstractNote = {LiAg3F8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.97–2.13 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (1.96 Å) and two longer (2.12 Å) Li–F bond lengths. There are six inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.80 Å. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.79 Å. In the third Ag+2.33+ site, Ag+2.33+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.03–2.52 Å. In the fourth Ag+2.33+ site, Ag+2.33+ is bonded in a distorted octahedral geometry to six F1- atoms. There are four shorter (2.03 Å) and two longer (2.51 Å) Ag–F bond lengths. In the fifth Ag+2.33+ site, Ag+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.78 Å. In the sixth Ag+2.33+ site, Ag+2.33+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.79 Å. There are sixteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two Ag+2.33+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two Ag+2.33+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.33+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.33+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.33+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.33+ atoms. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to three Ag+2.33+ atoms. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to three Ag+2.33+ atoms. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to three Ag+2.33+ atoms. In the tenth F1- site, F1- is bonded in a 2-coordinate geometry to three Ag+2.33+ atoms. In the eleventh F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.33+ atoms. In the twelfth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.33+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.33+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Ag+2.33+ atoms. In the fifteenth F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two Ag+2.33+ atoms. In the sixteenth F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two Ag+2.33+ atoms.},
doi = {10.17188/1312191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}