U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2SnO3 by Materials Project
Abstract
Tl2SnO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.53–2.94 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.58 Å) and one longer (2.64 Å) Tl–O bond lengths. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tl1+ and three equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Tl1+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sn4+ atom.
- Publication Date:
- Other Number(s):
- mp-540586
- 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-Sn-Tl; Tl2SnO3; crystal structure
- OSTI Identifier:
- 1264406
- DOI:
- https://doi.org/10.17188/1264406
Citation Formats
Materials Data on Tl2SnO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264406.
Materials Data on Tl2SnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1264406
2020.
"Materials Data on Tl2SnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1264406. https://www.osti.gov/servlets/purl/1264406. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1264406,
title = {Materials Data on Tl2SnO3 by Materials Project},
abstractNote = {Tl2SnO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.53–2.94 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.58 Å) and one longer (2.64 Å) Tl–O bond lengths. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tl1+ and three equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Tl1+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sn4+ atom.},
doi = {10.17188/1264406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}