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Title: Materials Data on Cu3Sb4(OF)6 by Materials Project

Abstract

Cu3Sb4(OF)6 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cu+1.33+ 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 2.01 Å. All Cu–F bond lengths are 2.04 Å. Sb+3.50+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu+1.33+ and two equivalent Sb+3.50+ atoms. F1- is bonded in a linear geometry to two equivalent Cu+1.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1232328
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; Cu3Sb4(OF)6; Cu-F-O-Sb
OSTI Identifier:
1672479
DOI:
https://doi.org/10.17188/1672479

Citation Formats

The Materials Project. Materials Data on Cu3Sb4(OF)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672479.
The Materials Project. Materials Data on Cu3Sb4(OF)6 by Materials Project. United States. doi:https://doi.org/10.17188/1672479
The Materials Project. 2020. "Materials Data on Cu3Sb4(OF)6 by Materials Project". United States. doi:https://doi.org/10.17188/1672479. https://www.osti.gov/servlets/purl/1672479. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672479,
title = {Materials Data on Cu3Sb4(OF)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3Sb4(OF)6 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cu+1.33+ 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 2.01 Å. All Cu–F bond lengths are 2.04 Å. Sb+3.50+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu+1.33+ and two equivalent Sb+3.50+ atoms. F1- is bonded in a linear geometry to two equivalent Cu+1.33+ atoms.},
doi = {10.17188/1672479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}