U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaSmO3 by Materials Project
Abstract
SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-778450
- 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; La-O-Sm; LaSmO3; crystal structure
- OSTI Identifier:
- 1305576
- DOI:
- https://doi.org/10.17188/1305576
Citation Formats
Materials Data on LaSmO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305576.
Materials Data on LaSmO3 by Materials Project. United States. doi:https://doi.org/10.17188/1305576
2020.
"Materials Data on LaSmO3 by Materials Project". United States. doi:https://doi.org/10.17188/1305576. https://www.osti.gov/servlets/purl/1305576. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1305576,
title = {Materials Data on LaSmO3 by Materials Project},
abstractNote = {SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.},
doi = {10.17188/1305576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}