U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuO2F by Materials Project
Abstract
CuO2F crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu is bonded to three O and three equivalent F atoms to form a mixture of edge and corner-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are one shorter (1.95 Å) and two longer (2.06 Å) Cu–O bond lengths. There are one shorter (2.05 Å) and two longer (2.10 Å) Cu–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one O atom. The O–O bond length is 1.34 Å. F is bonded in a distorted trigonal planar geometry to three equivalent Cu atoms.
- Publication Date:
- Other Number(s):
- mp-997107
- 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; crystal structure; Cu-F-O; CuO2F
- OSTI Identifier:
- 1317197
- DOI:
- https://doi.org/10.17188/1317197
Citation Formats
Materials Data on CuO2F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317197.
Materials Data on CuO2F by Materials Project. United States. doi:https://doi.org/10.17188/1317197
2020.
"Materials Data on CuO2F by Materials Project". United States. doi:https://doi.org/10.17188/1317197. https://www.osti.gov/servlets/purl/1317197. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1317197,
title = {Materials Data on CuO2F by Materials Project},
abstractNote = {CuO2F crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu is bonded to three O and three equivalent F atoms to form a mixture of edge and corner-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are one shorter (1.95 Å) and two longer (2.06 Å) Cu–O bond lengths. There are one shorter (2.05 Å) and two longer (2.10 Å) Cu–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one O atom. The O–O bond length is 1.34 Å. F is bonded in a distorted trigonal planar geometry to three equivalent Cu atoms.},
doi = {10.17188/1317197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}