U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3IrF6 by Materials Project
Abstract
K3IrF6 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 2.65–2.80 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 2.64–2.85 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 2.66–2.77 Å. Ir3+ is bonded in an octahedral geometry to six F1- atoms. All Ir–F bond lengths are 2.05 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 Ir3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ir3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ir3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205811
- 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; K3IrF6; F-Ir-K
- OSTI Identifier:
- 1711872
- DOI:
- https://doi.org/10.17188/1711872
Citation Formats
The Materials Project. Materials Data on K3IrF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711872.
The Materials Project. Materials Data on K3IrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1711872
The Materials Project. 2019.
"Materials Data on K3IrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1711872. https://www.osti.gov/servlets/purl/1711872. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711872,
title = {Materials Data on K3IrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3IrF6 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 2.65–2.80 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 2.64–2.85 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 2.66–2.77 Å. Ir3+ is bonded in an octahedral geometry to six F1- atoms. All Ir–F bond lengths are 2.05 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 Ir3+ atom. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ir3+ atom. In the third F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Ir3+ atom.},
doi = {10.17188/1711872},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}