Materials Data on Tl3AsSe3 by Materials Project
Tl3AsSe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.20–3.65 Å. As3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All As–Se bond lengths are 2.43 Å. Se2- is bonded in a 1-coordinate geometry to five equivalent Tl1+ and one As3+ atom.
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