U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrCuO3 by Materials Project
Abstract
CrCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent CuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.85 Å. Cu1+ is bonded to twelve equivalent O2- atoms to form CuO12 cuboctahedra that share corners with twelve equivalent CuO12 cuboctahedra, faces with six equivalent CuO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Cu–O bond lengths are 2.62 Å. O2- is bonded in a distorted linear geometry to two equivalent Cr5+ and four equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1183696
- 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; Cr-Cu-O; CrCuO3; crystal structure
- OSTI Identifier:
- 1692713
- DOI:
- https://doi.org/10.17188/1692713
Citation Formats
Materials Data on CrCuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1692713.
Materials Data on CrCuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1692713
2020.
"Materials Data on CrCuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1692713. https://www.osti.gov/servlets/purl/1692713. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1692713,
title = {Materials Data on CrCuO3 by Materials Project},
abstractNote = {CrCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent CuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.85 Å. Cu1+ is bonded to twelve equivalent O2- atoms to form CuO12 cuboctahedra that share corners with twelve equivalent CuO12 cuboctahedra, faces with six equivalent CuO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Cu–O bond lengths are 2.62 Å. O2- is bonded in a distorted linear geometry to two equivalent Cr5+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1692713},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}