U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlSn2Br5 by Materials Project
Abstract
TlSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are eight shorter (3.61 Å) and two longer (3.72 Å) Tl–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.79 Å) and two longer (3.12 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Sn2+ atom. In the second Br1- site, Br1- is bonded to two equivalent Tl1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrTl2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.
- Publication Date:
- Other Number(s):
- mp-568244
- 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; Br-Sn-Tl; TlSn2Br5; crystal structure
- OSTI Identifier:
- 1274327
- DOI:
- https://doi.org/10.17188/1274327
Citation Formats
Materials Data on TlSn2Br5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274327.
Materials Data on TlSn2Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1274327
2020.
"Materials Data on TlSn2Br5 by Materials Project". United States. doi:https://doi.org/10.17188/1274327. https://www.osti.gov/servlets/purl/1274327. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1274327,
title = {Materials Data on TlSn2Br5 by Materials Project},
abstractNote = {TlSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are eight shorter (3.61 Å) and two longer (3.72 Å) Tl–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.79 Å) and two longer (3.12 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Sn2+ atom. In the second Br1- site, Br1- is bonded to two equivalent Tl1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrTl2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.},
doi = {10.17188/1274327},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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