U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmCuO3 by Materials Project
Abstract
SmCuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.53 Å. Cu3+ is bonded to six O2- atoms to form distorted corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There are a spread of Cu–O bond distances ranging from 1.86–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cu3+ atoms to form distorted corner-sharing OSm2Cu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent Cu3+ atoms.
- Publication Date:
- Other Number(s):
- mp-770767
- 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-O-Sm; SmCuO3
- OSTI Identifier:
- 1300082
- DOI:
- https://doi.org/10.17188/1300082
Citation Formats
Materials Data on SmCuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300082.
Materials Data on SmCuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1300082
2020.
"Materials Data on SmCuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1300082. https://www.osti.gov/servlets/purl/1300082. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1300082,
title = {Materials Data on SmCuO3 by Materials Project},
abstractNote = {SmCuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.53 Å. Cu3+ is bonded to six O2- atoms to form distorted corner-sharing CuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There are a spread of Cu–O bond distances ranging from 1.86–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cu3+ atoms to form distorted corner-sharing OSm2Cu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent Cu3+ atoms.},
doi = {10.17188/1300082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}