U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3AsF6 by Materials Project
Abstract
K3AsF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.85 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.92 Å. In the third K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.67–2.85 Å. As3+ is bonded in an octahedral geometry to six F1- atoms. All As–F bond lengths are 2.08 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one As3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one As3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one As3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211917
- 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; K3AsF6; As-F-K
- OSTI Identifier:
- 1734134
- DOI:
- https://doi.org/10.17188/1734134
Citation Formats
The Materials Project. Materials Data on K3AsF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1734134.
The Materials Project. Materials Data on K3AsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1734134
The Materials Project. 2019.
"Materials Data on K3AsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1734134. https://www.osti.gov/servlets/purl/1734134. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1734134,
title = {Materials Data on K3AsF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3AsF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.85 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.92 Å. In the third K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.67–2.85 Å. As3+ is bonded in an octahedral geometry to six F1- atoms. All As–F bond lengths are 2.08 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one As3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one As3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one As3+ atom.},
doi = {10.17188/1734134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}