Title: Materials Data on CaCuF4 by Materials Project

Abstract

CaCuF4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Ca–F bond lengths are 2.38 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Cu2+ atom.

Publication Date:
Other Number(s):
mp-12266
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; Ca-Cu-F; CaCuF4; crystal structure
OSTI Identifier:
1188679
DOI:
https://doi.org/10.17188/1188679

Citation Formats

Materials Data on CaCuF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188679.
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Materials Data on CaCuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1188679
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2020. "Materials Data on CaCuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1188679. https://www.osti.gov/servlets/purl/1188679. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1188679,
title = {Materials Data on CaCuF4 by Materials Project},
abstractNote = {CaCuF4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Ca–F bond lengths are 2.38 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Cu2+ atom.},
doi = {10.17188/1188679},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1188679
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