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Title: 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.

Publication Date:
Other Number(s):
mp-8096
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; ZrCuF6; Cu-F-Zr
OSTI Identifier:
1282199
DOI:
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:10.17188/1282199.
The Materials Project. 2020. "Materials Data on ZrCuF6 by Materials Project". United States. doi: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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