U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2SnTe3 by Materials Project
Abstract
Tl2SnTe3 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 10-coordinate geometry to two Tl1+ and eight Te2- atoms. There are one shorter (3.62 Å) and one longer (3.70 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.46–3.82 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to one Tl1+ and seven Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.35–4.06 Å. Sn4+ is bonded to four Te2- atoms to form edge-sharing SnTe4 tetrahedra. There are a spread of Sn–Te bond distances ranging from 2.79–2.87 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sn4+ atom. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+more »
- Publication Date:
- Other Number(s):
- mp-28662
- 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; Sn-Te-Tl; Tl2SnTe3; crystal structure
- OSTI Identifier:
- 1202743
- DOI:
- https://doi.org/10.17188/1202743
Citation Formats
Materials Data on Tl2SnTe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202743.
Materials Data on Tl2SnTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1202743
2020.
"Materials Data on Tl2SnTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1202743. https://www.osti.gov/servlets/purl/1202743. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1202743,
title = {Materials Data on Tl2SnTe3 by Materials Project},
abstractNote = {Tl2SnTe3 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 10-coordinate geometry to two Tl1+ and eight Te2- atoms. There are one shorter (3.62 Å) and one longer (3.70 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.46–3.82 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to one Tl1+ and seven Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.35–4.06 Å. Sn4+ is bonded to four Te2- atoms to form edge-sharing SnTe4 tetrahedra. There are a spread of Sn–Te bond distances ranging from 2.79–2.87 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sn4+ atom. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+ and one Sn4+ atom.},
doi = {10.17188/1202743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}