U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuAsO3 by Materials Project
Abstract
CuAsO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cu1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 2.07–2.53 Å. As5+ is bonded to six O2- atoms to form edge-sharing AsO6 octahedra. There are a spread of As–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms.
- Publication Date:
- Other Number(s):
- mp-776320
- 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:
- 1272760
- DOI:
- https://doi.org/10.17188/1272760
Citation Formats
Materials Data on CuAsO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272760.
Materials Data on CuAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1272760
2020.
"Materials Data on CuAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1272760. https://www.osti.gov/servlets/purl/1272760. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272760,
title = {Materials Data on CuAsO3 by Materials Project},
abstractNote = {CuAsO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cu1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 2.07–2.53 Å. As5+ is bonded to six O2- atoms to form edge-sharing AsO6 octahedra. There are a spread of As–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu1+ and two equivalent As5+ atoms.},
doi = {10.17188/1272760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}