U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2F5 by Materials Project
Abstract
Ag2F5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ag–F bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 31–49°. There are a spread of Ag–F bond distances ranging from 2.04–2.62 Å. In the third Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.08–2.37 Å. In the fourth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Ag–F bond length. In the fifth Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.00–2.73 Å. In the sixth Ag+2.50+ site, Ag+2.50+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-542298
- 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; Ag2F5; Ag-F
- OSTI Identifier:
- 1266490
- DOI:
- https://doi.org/10.17188/1266490
Citation Formats
The Materials Project. Materials Data on Ag2F5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266490.
The Materials Project. Materials Data on Ag2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1266490
The Materials Project. 2020.
"Materials Data on Ag2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1266490. https://www.osti.gov/servlets/purl/1266490. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1266490,
title = {Materials Data on Ag2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2F5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ag–F bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 31–49°. There are a spread of Ag–F bond distances ranging from 2.04–2.62 Å. In the third Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.08–2.37 Å. In the fourth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Ag–F bond length. In the fifth Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.00–2.73 Å. In the sixth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 1.95–2.00 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Ag+2.50+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag+2.50+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.50+ atoms. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ag+2.50+ atoms.},
doi = {10.17188/1266490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}