Materials Data on TaTl3Se4 by Materials Project
Tl3TaSe4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Tl3TaSe4 frameworks. Ta5+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Ta–Se bond lengths are 2.42 Å. Tl1+ is bonded in a 8-coordinate geometry to four equivalent Se2- atoms. All Tl–Se bond lengths are 3.29 Å. Se2- is bonded in a distorted single-bond geometry to one Ta5+ and three equivalent Tl1+ atoms.
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