U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3CrF6 by Materials Project
Abstract
K3CrF6 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 2.67–2.78 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 2.60–2.94 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 2.62–2.89 Å. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.96 Å) and two longer (1.97 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Cr3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Cr3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Cr3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211884
- 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; K3CrF6; Cr-F-K
- OSTI Identifier:
- 1694868
- DOI:
- https://doi.org/10.17188/1694868
Citation Formats
The Materials Project. Materials Data on K3CrF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1694868.
The Materials Project. Materials Data on K3CrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1694868
The Materials Project. 2019.
"Materials Data on K3CrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1694868. https://www.osti.gov/servlets/purl/1694868. Pub date:Fri Mar 29 00:00:00 EDT 2019
@article{osti_1694868,
title = {Materials Data on K3CrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3CrF6 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 2.67–2.78 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 2.60–2.94 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 2.62–2.89 Å. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.96 Å) and two longer (1.97 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Cr3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Cr3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Cr3+ atom.},
doi = {10.17188/1694868},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Mar 29 00:00:00 EDT 2019},
month = {Fri Mar 29 00:00:00 EDT 2019}
}