Materials Data on ZrCuF6 by Materials Project
Abstract
CuZrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Zr–F bond lengths are 2.04 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Cu–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Zr4+ and one Cu2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8096
- 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; ZrCuF6; Cu-F-Zr
- OSTI Identifier:
- 1282199
- DOI:
- https://doi.org/10.17188/1282199
Citation Formats
The Materials Project. Materials Data on ZrCuF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282199.
The Materials Project. Materials Data on ZrCuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1282199
The Materials Project. 2020.
"Materials Data on ZrCuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1282199. https://www.osti.gov/servlets/purl/1282199. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282199,
title = {Materials Data on ZrCuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CuZrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Zr–F bond lengths are 2.04 Å. Cu2+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Cu–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Zr4+ and one Cu2+ atom.},
doi = {10.17188/1282199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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