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Title: Materials Data on CuClF10 by Materials Project

Abstract

CuF4ClF6 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ClF6 clusters and two CuF4 clusters. In each ClF6 cluster, Cl is bonded in an octahedral geometry to six F atoms. There are a spread of Cl–F bond distances ranging from 1.70–1.72 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In each CuF4 cluster, Cu is bonded in a rectangular see-saw-like geometry to four F atoms. All Cu–F bond lengths are 1.76 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cu atom. In the second F site, F is bonded in a single-bond geometry to one Cu atom. In the third F site, F is bonded in a single-bond geometry to one Cu atom. In the fourth F site, F is bonded in a single-bond geometry to one Cu atom.

Publication Date:
Other Number(s):
mp-557055
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; CuClF10; Cl-Cu-F
OSTI Identifier:
1269676
DOI:
https://doi.org/10.17188/1269676

Citation Formats

The Materials Project. Materials Data on CuClF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269676.
The Materials Project. Materials Data on CuClF10 by Materials Project. United States. doi:https://doi.org/10.17188/1269676
The Materials Project. 2020. "Materials Data on CuClF10 by Materials Project". United States. doi:https://doi.org/10.17188/1269676. https://www.osti.gov/servlets/purl/1269676. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269676,
title = {Materials Data on CuClF10 by Materials Project},
author = {The Materials Project},
abstractNote = {CuF4ClF6 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ClF6 clusters and two CuF4 clusters. In each ClF6 cluster, Cl is bonded in an octahedral geometry to six F atoms. There are a spread of Cl–F bond distances ranging from 1.70–1.72 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In each CuF4 cluster, Cu is bonded in a rectangular see-saw-like geometry to four F atoms. All Cu–F bond lengths are 1.76 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cu atom. In the second F site, F is bonded in a single-bond geometry to one Cu atom. In the third F site, F is bonded in a single-bond geometry to one Cu atom. In the fourth F site, F is bonded in a single-bond geometry to one Cu atom.},
doi = {10.17188/1269676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}