Materials Data on Tl2TeBr6 by Materials Project
Tl2TeBr6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tl1+ is bonded in a distorted body-centered cubic geometry to eight Br1- atoms. There are four shorter (3.52 Å) and four longer (3.81 Å) Tl–Br bond lengths. Te4+ is bonded in an octahedral geometry to six Br1- atoms. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom.
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