U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu2ClO3 by Materials Project
Abstract
Cu2O3Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Cu2O3Cl sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted square co-planar geometry to four O and two equivalent Cl atoms. There is two shorter (1.84 Å) and two longer (1.88 Å) Cu–O bond length. Both Cu–Cl bond lengths are 2.74 Å. In the second Cu site, Cu is bonded to five O and one Cl atom to form distorted edge-sharing CuClO5 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.25 Å. The Cu–Cl bond length is 2.45 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 1-coordinate geometry to three Cu atoms.
- Publication Date:
- Other Number(s):
- mp-1102607
- 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; Cl-Cu-O; Cu2ClO3; crystal structure
- OSTI Identifier:
- 1698946
- DOI:
- https://doi.org/10.17188/1698946
Citation Formats
Materials Data on Cu2ClO3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1698946.
Materials Data on Cu2ClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1698946
2018.
"Materials Data on Cu2ClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1698946. https://www.osti.gov/servlets/purl/1698946. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1698946,
title = {Materials Data on Cu2ClO3 by Materials Project},
abstractNote = {Cu2O3Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Cu2O3Cl sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted square co-planar geometry to four O and two equivalent Cl atoms. There is two shorter (1.84 Å) and two longer (1.88 Å) Cu–O bond length. Both Cu–Cl bond lengths are 2.74 Å. In the second Cu site, Cu is bonded to five O and one Cl atom to form distorted edge-sharing CuClO5 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.25 Å. The Cu–Cl bond length is 2.45 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 1-coordinate geometry to three Cu atoms.},
doi = {10.17188/1698946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}