U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuSeO3 by Materials Project
Abstract
CuSeO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.97–2.31 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom.
- Publication Date:
- Other Number(s):
- mp-22688
- 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; Cu-O-Se; CuSeO3; crystal structure
- OSTI Identifier:
- 1198892
- DOI:
- https://doi.org/10.17188/1198892
Citation Formats
Materials Data on CuSeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198892.
Materials Data on CuSeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1198892
2020.
"Materials Data on CuSeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1198892. https://www.osti.gov/servlets/purl/1198892. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1198892,
title = {Materials Data on CuSeO3 by Materials Project},
abstractNote = {CuSeO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.97–2.31 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom.},
doi = {10.17188/1198892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}