Materials Data on TlN3 by Materials Project

Kristin Persson
TlN3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. All Tl–N bond lengths are 3.10 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a linear...
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