U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuClF10 by Materials Project
Abstract
CuF4ClF6 crystallizes in the monoclinic P2_1/c 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 is four shorter (1.67 Å) and two longer (1.69 Å) Cl–F bond length. 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 square co-planar geometry to four equivalent F atoms. All Cu–F bond lengths are 1.75 Å. F is bonded in a single-bond geometry to one Cu atom.
- Publication Date:
- Other Number(s):
- mp-29279
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-Cu-F; CuClF10; crystal structure
- OSTI Identifier:
- 1203648
- DOI:
- https://doi.org/10.17188/1203648
Citation Formats
Materials Data on CuClF10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203648.
Materials Data on CuClF10 by Materials Project. United States. doi:https://doi.org/10.17188/1203648
2020.
"Materials Data on CuClF10 by Materials Project". United States. doi:https://doi.org/10.17188/1203648. https://www.osti.gov/servlets/purl/1203648. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203648,
title = {Materials Data on CuClF10 by Materials Project},
abstractNote = {CuF4ClF6 crystallizes in the monoclinic P2_1/c 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 is four shorter (1.67 Å) and two longer (1.69 Å) Cl–F bond length. 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 square co-planar geometry to four equivalent F atoms. All Cu–F bond lengths are 1.75 Å. F is bonded in a single-bond geometry to one Cu atom.},
doi = {10.17188/1203648},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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