U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlAgF4 by Materials Project
Abstract
AgAlF4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ag–F bond distances ranging from 2.74–3.18 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Ag–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of Al–F bond distances ranging from 1.78–1.86 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag1+ and two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Ag1+ and one Al3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag1+ and two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three Ag1+ and one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1214923
- 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; AlAgF4; Ag-Al-F
- OSTI Identifier:
- 1730606
- DOI:
- https://doi.org/10.17188/1730606
Citation Formats
The Materials Project. Materials Data on AlAgF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1730606.
The Materials Project. Materials Data on AlAgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1730606
The Materials Project. 2020.
"Materials Data on AlAgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1730606. https://www.osti.gov/servlets/purl/1730606. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1730606,
title = {Materials Data on AlAgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {AgAlF4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ag–F bond distances ranging from 2.74–3.18 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Ag–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of Al–F bond distances ranging from 1.78–1.86 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag1+ and two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Ag1+ and one Al3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag1+ and two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three Ag1+ and one Al3+ atom.},
doi = {10.17188/1730606},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}