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Title: 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; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TlSn2Br5; Br-Sn-Tl
OSTI Identifier:
1274327
DOI:
https://doi.org/10.17188/1274327

Citation Formats

The Materials Project. Materials Data on TlSn2Br5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274327.
The Materials Project. Materials Data on TlSn2Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1274327
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1274327,
title = {Materials Data on TlSn2Br5 by Materials Project},
author = {The 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}
}