Materials Data on Tl2TeI6 by Materials Project
Tl2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.54–3.93 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.98 Å) and two longer (2.99 Å) Te–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.
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