U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YCuO3 by Materials Project
Abstract
YCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Y–O bond lengths are 2.67 Å. 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 YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Cu3+ atoms.
- Publication Date:
- Other Number(s):
- mvc-11697
- 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-Y; YCuO3; crystal structure
- OSTI Identifier:
- 1318302
- DOI:
- https://doi.org/10.17188/1318302
Citation Formats
Materials Data on YCuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318302.
Materials Data on YCuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1318302
2020.
"Materials Data on YCuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1318302. https://www.osti.gov/servlets/purl/1318302. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1318302,
title = {Materials Data on YCuO3 by Materials Project},
abstractNote = {YCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Y–O bond lengths are 2.67 Å. 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 YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Cu3+ atoms.},
doi = {10.17188/1318302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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