U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AgAsF7 by Materials Project
Abstract
AgFAsF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag2+ is bonded to seven F1- atoms to form AgF7 pentagonal bipyramids that share corners with three equivalent AsF6 octahedra, corners with two equivalent AgF7 pentagonal bipyramids, and an edgeedge with one AsF6 octahedra. The corner-sharing octahedra tilt angles range from 32–40°. There are a spread of Ag–F bond distances ranging from 2.04–2.48 Å. As5+ is bonded to six F1- atoms to form AsF6 octahedra that share corners with three equivalent AgF7 pentagonal bipyramids and an edgeedge with one AgF7 pentagonal bipyramid. There are a spread of As–F bond distances ranging from 1.74–1.79 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one As5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ag2+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Ag2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a distorted water-likemore »
- Publication Date:
- Other Number(s):
- mp-4807
- 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-As-F; AgAsF7; crystal structure
- OSTI Identifier:
- 1208412
- DOI:
- https://doi.org/10.17188/1208412
Citation Formats
Materials Data on AgAsF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208412.
Materials Data on AgAsF7 by Materials Project. United States. doi:https://doi.org/10.17188/1208412
2020.
"Materials Data on AgAsF7 by Materials Project". United States. doi:https://doi.org/10.17188/1208412. https://www.osti.gov/servlets/purl/1208412. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1208412,
title = {Materials Data on AgAsF7 by Materials Project},
abstractNote = {AgFAsF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag2+ is bonded to seven F1- atoms to form AgF7 pentagonal bipyramids that share corners with three equivalent AsF6 octahedra, corners with two equivalent AgF7 pentagonal bipyramids, and an edgeedge with one AsF6 octahedra. The corner-sharing octahedra tilt angles range from 32–40°. There are a spread of Ag–F bond distances ranging from 2.04–2.48 Å. As5+ is bonded to six F1- atoms to form AsF6 octahedra that share corners with three equivalent AgF7 pentagonal bipyramids and an edgeedge with one AgF7 pentagonal bipyramid. There are a spread of As–F bond distances ranging from 1.74–1.79 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one As5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ag2+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Ag2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to one Ag2+ and one As5+ atom.},
doi = {10.17188/1208412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}