U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on InCuO3 by Materials Project
Abstract
CuInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.89 Å. In3+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All In–O bond lengths are 2.68 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu3+ and four equivalent In3+ atoms.
- Publication Date:
- Other Number(s):
- mp-975443
- 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; crystal structure; Cu-In-O; InCuO3
- OSTI Identifier:
- 1314801
- DOI:
- https://doi.org/10.17188/1314801
Citation Formats
Materials Data on InCuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314801.
Materials Data on InCuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314801
2020.
"Materials Data on InCuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314801. https://www.osti.gov/servlets/purl/1314801. Pub date:Thu Jul 23 20:00:00 EDT 2020
@article{osti_1314801,
title = {Materials Data on InCuO3 by Materials Project},
abstractNote = {CuInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.89 Å. In3+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All In–O bond lengths are 2.68 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu3+ and four equivalent In3+ atoms.},
doi = {10.17188/1314801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}