U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbSmO3 by Materials Project
Abstract
TbSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.34 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OTb2Sm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and two equivalent Sm3+ atoms.
- Publication Date:
- Other Number(s):
- mp-756118
- 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; O-Sm-Tb; TbSmO3; crystal structure
- OSTI Identifier:
- 1290354
- DOI:
- https://doi.org/10.17188/1290354
Citation Formats
Materials Data on TbSmO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290354.
Materials Data on TbSmO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290354
2020.
"Materials Data on TbSmO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290354. https://www.osti.gov/servlets/purl/1290354. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1290354,
title = {Materials Data on TbSmO3 by Materials Project},
abstractNote = {TbSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.34 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OTb2Sm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and two equivalent Sm3+ atoms.},
doi = {10.17188/1290354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}