U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmErO3 by Materials Project
Abstract
ErSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Er–O bond distances ranging from 2.22–2.30 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OSm2Er2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Sm3+ atoms.
- Publication Date:
- Other Number(s):
- mp-754203
- 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; Er-O-Sm; SmErO3
- OSTI Identifier:
- 1289295
- DOI:
- https://doi.org/10.17188/1289295
Citation Formats
Materials Data on SmErO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289295.
Materials Data on SmErO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289295
2020.
"Materials Data on SmErO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289295. https://www.osti.gov/servlets/purl/1289295. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1289295,
title = {Materials Data on SmErO3 by Materials Project},
abstractNote = {ErSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Er–O bond distances ranging from 2.22–2.30 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OSm2Er2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Sm3+ atoms.},
doi = {10.17188/1289295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}