Materials Data on CsTaN2 by Materials Project
CsTaN2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.46 Å) and four longer (3.70 Å) Cs–N bond lengths. Ta5+ is bonded to four equivalent N3- atoms to form corner-sharing TaN4 tetrahedra. All Ta–N bond lengths are 1.95 Å. N3- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Ta5+ atoms.
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