CsN3 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one N(2) atom.
CsN3 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent N(1) atoms. All Cs(1)-N(1) bond lengths are 3.28 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. Both N(2)-N(1) bond lengths are 1.18 Å. In the second N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one N(2) atom.