U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlSn3 by Materials Project
Abstract
TlSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tl is bonded to twelve Sn atoms to form a mixture of distorted corner and face-sharing TlSn12 cuboctahedra. There are six shorter (3.36 Å) and six longer (3.57 Å) Tl–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. There are two shorter (3.24 Å) and six longer (3.49 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. All Sn–Sn bond lengths are 3.49 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. Both Sn–Sn bond lengths are 3.49 Å.
- Publication Date:
- Other Number(s):
- mp-1187690
- 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-Tl; TlSn3; crystal structure
- OSTI Identifier:
- 1744308
- DOI:
- https://doi.org/10.17188/1744308
Citation Formats
Materials Data on TlSn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744308.
Materials Data on TlSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1744308
2020.
"Materials Data on TlSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1744308. https://www.osti.gov/servlets/purl/1744308. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744308,
title = {Materials Data on TlSn3 by Materials Project},
abstractNote = {TlSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tl is bonded to twelve Sn atoms to form a mixture of distorted corner and face-sharing TlSn12 cuboctahedra. There are six shorter (3.36 Å) and six longer (3.57 Å) Tl–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. There are two shorter (3.24 Å) and six longer (3.49 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. All Sn–Sn bond lengths are 3.49 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tl and eight Sn atoms. Both Sn–Sn bond lengths are 3.49 Å.},
doi = {10.17188/1744308},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}