Materials Data on Li8TeN2 by Materials Project
Li8N2Te crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 120 degrees geometry to two equivalent N3- and two equivalent Te2- atoms. There are one shorter (2.10 Å) and one longer (2.23 Å) Li–N bond lengths. There are one shorter (2.90 Å) and one longer (2.95 Å) Li–Te bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.13 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.99 Å. In the fourth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one Te2- atom. Both Li–N bond lengths are 2.12 Å. The Li–Te bond length is 2.77 Å. N3- is bonded in a 9-coordinate geometry to nine Li1+ atoms. Te2- is bonded in a 12-coordinate geometry to nine Li1+ atoms.