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Title: 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.

Publication Date:
Other Number(s):
mp-1211884
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2019},
month = {3}
}