Materials Data on NbTl3S4 by Materials Project
NbTl3S4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two NbTl3S4 frameworks. Nb5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Nb–S bond lengths are 2.30 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.19 Å. S2- is bonded in a 1-coordinate geometry to one Nb5+ and three equivalent Tl1+ atoms.
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