U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScCuO2 by Materials Project
Abstract
CuScO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.13 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.84 Å. O2- is bonded to three equivalent Sc3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OSc3Cu tetrahedra.
- Publication Date:
- Other Number(s):
- mp-3642
- 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-Sc; ScCuO2; crystal structure
- OSTI Identifier:
- 1207178
- DOI:
- https://doi.org/10.17188/1207178
Citation Formats
Materials Data on ScCuO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207178.
Materials Data on ScCuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1207178
2020.
"Materials Data on ScCuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1207178. https://www.osti.gov/servlets/purl/1207178. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1207178,
title = {Materials Data on ScCuO2 by Materials Project},
abstractNote = {CuScO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.13 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.84 Å. O2- is bonded to three equivalent Sc3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OSc3Cu tetrahedra.},
doi = {10.17188/1207178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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