U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuAsO3 by Materials Project
Abstract
CuAsO3 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuAsO3 sheet oriented in the (0, 1, 0) direction. Cu1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.84 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu1+ and one As5+ atom.
- Publication Date:
- Other Number(s):
- mp-1178368
- 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; As-Cu-O; CuAsO3; crystal structure
- OSTI Identifier:
- 1722092
- DOI:
- https://doi.org/10.17188/1722092
Citation Formats
Materials Data on CuAsO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722092.
Materials Data on CuAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1722092
2020.
"Materials Data on CuAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1722092. https://www.osti.gov/servlets/purl/1722092. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1722092,
title = {Materials Data on CuAsO3 by Materials Project},
abstractNote = {CuAsO3 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuAsO3 sheet oriented in the (0, 1, 0) direction. Cu1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.84 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu1+ and one As5+ atom.},
doi = {10.17188/1722092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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