U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu2OF2 by Materials Project
Abstract
Cu2OF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to two O2- and two F1- atoms. There is one shorter (1.88 Å) and one longer (1.90 Å) Cu–O bond length. There is one shorter (1.91 Å) and one longer (1.93 Å) Cu–F bond length. In the second Cu2+ site, Cu2+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.95 Å) and one longer (1.99 Å) Cu–F bond length. In the third Cu2+ site, Cu2+ is bonded in a linear geometry to two F1- atoms. There are one shorter (2.00 Å) and one longer (2.02 Å) Cu–F bond lengths. In the fourth Cu2+ site, Cu2+ is bonded in a square co-planar geometry to two O2- and two F1- atoms. There is one shorter (1.92 Å) and one longer (1.93 Å) Cu–O bond length. There is one shorter (1.88 Å) and one longer (1.90 Å) Cu–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two Cu2+ atoms. In the second O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-754084
- 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; Cu2OF2; Cu-F-O
- OSTI Identifier:
- 1289240
- DOI:
- https://doi.org/10.17188/1289240
Citation Formats
The Materials Project. Materials Data on Cu2OF2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289240.
The Materials Project. Materials Data on Cu2OF2 by Materials Project. United States. doi:https://doi.org/10.17188/1289240
The Materials Project. 2020.
"Materials Data on Cu2OF2 by Materials Project". United States. doi:https://doi.org/10.17188/1289240. https://www.osti.gov/servlets/purl/1289240. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289240,
title = {Materials Data on Cu2OF2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2OF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to two O2- and two F1- atoms. There is one shorter (1.88 Å) and one longer (1.90 Å) Cu–O bond length. There is one shorter (1.91 Å) and one longer (1.93 Å) Cu–F bond length. In the second Cu2+ site, Cu2+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.95 Å) and one longer (1.99 Å) Cu–F bond length. In the third Cu2+ site, Cu2+ is bonded in a linear geometry to two F1- atoms. There are one shorter (2.00 Å) and one longer (2.02 Å) Cu–F bond lengths. In the fourth Cu2+ site, Cu2+ is bonded in a square co-planar geometry to two O2- and two F1- atoms. There is one shorter (1.92 Å) and one longer (1.93 Å) Cu–O bond length. There is one shorter (1.88 Å) and one longer (1.90 Å) Cu–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two Cu2+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two Cu2+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Cu2+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two Cu2+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Cu2+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Cu2+ atoms.},
doi = {10.17188/1289240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}