U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmTlO3 by Materials Project
Abstract
SmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.65 Å. Tl3+ is bonded to six O2- atoms to form corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Tl–O bond distances ranging from 2.21–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-754787
- 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-Tl; SmTlO3; crystal structure
- OSTI Identifier:
- 1289553
- DOI:
- https://doi.org/10.17188/1289553
Citation Formats
Materials Data on SmTlO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289553.
Materials Data on SmTlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289553
2020.
"Materials Data on SmTlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289553. https://www.osti.gov/servlets/purl/1289553. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1289553,
title = {Materials Data on SmTlO3 by Materials Project},
abstractNote = {SmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.65 Å. Tl3+ is bonded to six O2- atoms to form corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Tl–O bond distances ranging from 2.21–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids.},
doi = {10.17188/1289553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}