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Title: Materials Data on CuH4(OF)2 by Materials Project

Abstract

CuH4(OF)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form distorted edge-sharing CuO2F4 octahedra. Both Cu–O bond lengths are 1.92 Å. There are two shorter (1.95 Å) and two longer (2.66 Å) Cu–F bond lengths. H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.62 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. F1- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and two equivalent H1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23795
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; CuH4(OF)2; Cu-F-H-O
OSTI Identifier:
1199733
DOI:
https://doi.org/10.17188/1199733

Citation Formats

The Materials Project. Materials Data on CuH4(OF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199733.
The Materials Project. Materials Data on CuH4(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199733
The Materials Project. 2020. "Materials Data on CuH4(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199733. https://www.osti.gov/servlets/purl/1199733. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199733,
title = {Materials Data on CuH4(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuH4(OF)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form distorted edge-sharing CuO2F4 octahedra. Both Cu–O bond lengths are 1.92 Å. There are two shorter (1.95 Å) and two longer (2.66 Å) Cu–F bond lengths. H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.62 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. F1- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and two equivalent H1+ atoms.},
doi = {10.17188/1199733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}