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Title: Materials Data on Cu3As4(OF)6 by Materials Project

Abstract

Cu3As4(OF)6 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing CuO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–O bond lengths are 2.08 Å. All Cu–F bond lengths are 2.02 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.85 Å. O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent As3+ atoms. F1- is bonded in a linear geometry to two equivalent Cu2+ atoms.

Publication Date:
Other Number(s):
mp-1147541
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; Cu3As4(OF)6; As-Cu-F-O
OSTI Identifier:
1710642
DOI:
https://doi.org/10.17188/1710642

Citation Formats

The Materials Project. Materials Data on Cu3As4(OF)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710642.
The Materials Project. Materials Data on Cu3As4(OF)6 by Materials Project. United States. doi:https://doi.org/10.17188/1710642
The Materials Project. 2020. "Materials Data on Cu3As4(OF)6 by Materials Project". United States. doi:https://doi.org/10.17188/1710642. https://www.osti.gov/servlets/purl/1710642. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710642,
title = {Materials Data on Cu3As4(OF)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3As4(OF)6 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing CuO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–O bond lengths are 2.08 Å. All Cu–F bond lengths are 2.02 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.85 Å. O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent As3+ atoms. F1- is bonded in a linear geometry to two equivalent Cu2+ atoms.},
doi = {10.17188/1710642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}