Materials Data on Tl3B by Materials Project
(Tl)3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four boron molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four equivalent Tl1+ atoms. All Tl–Tl bond lengths are 3.23 Å. In the second Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.
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