U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2AgF4 by Materials Project
Abstract
Li2AgF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–84°. There are a spread of Li–F bond distances ranging from 1.92–2.00 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–83°. There are a spread of Li–F bond distances ranging from 1.92–2.01 Å. In the third Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–84°. There are a spread of Li–F bond distances ranging from 1.92–2.00 Å. In the fourth Li1+ site, Li1+ is bonded to four F1-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-760804
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2AgF4; Ag-F-Li
- OSTI Identifier:
- 1291710
- DOI:
- https://doi.org/10.17188/1291710
Citation Formats
The Materials Project. Materials Data on Li2AgF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291710.
The Materials Project. Materials Data on Li2AgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1291710
The Materials Project. 2020.
"Materials Data on Li2AgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1291710. https://www.osti.gov/servlets/purl/1291710. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1291710,
title = {Materials Data on Li2AgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2AgF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–84°. There are a spread of Li–F bond distances ranging from 1.92–2.00 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–83°. There are a spread of Li–F bond distances ranging from 1.92–2.01 Å. In the third Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–84°. There are a spread of Li–F bond distances ranging from 1.92–2.00 Å. In the fourth Li1+ site, Li1+ is bonded to four F1- atoms to form distorted LiF4 tetrahedra that share corners with six AgF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–84°. There are a spread of Li–F bond distances ranging from 1.92–2.01 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with twelve LiF4 tetrahedra and edges with two equivalent AgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.08–2.40 Å. In the second Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with twelve LiF4 tetrahedra and edges with two equivalent AgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.09–2.40 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Li1+ and two equivalent Ag2+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Li1+ and two equivalent Ag2+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Li1+ and two equivalent Ag2+ atoms. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to two Li1+ and two equivalent Ag2+ atoms. In the eighth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom.},
doi = {10.17188/1291710},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}