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NK3 is Bismuth triodide-like structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one NK3 ribbon oriented in the (0, 0, 1) direction. K1+ is bonded in an L-shaped geometry to two equivalent N3- atoms. Both K–N bond lengths are 2.73 Å. N3- is bonded to six equivalent K1+ atoms to form face-sharing NK6 octahedra.
KN3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. All K–N bond lengths are 3.03 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four equivalent K1+ and one N+0.33- atom.
KN3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded to six N+0.33- atoms to form corner-sharing KN6 octahedra. The corner-sharing octahedra tilt angles range from 0–75°. There are two shorter (2.69 Å) and four longer (3.08 Å) K–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent K1+ and one N+0.33- atom. The N–N bond length is 1.12 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent K1+ atoms.
NK1 is Halite, Rock Salt structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded to six equivalent N1- atoms to form a mixture of edge and corner-sharing KN6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of K–N bond distances ranging from 2.87–2.92 Å. N1- is bonded to six equivalent K1+ atoms to form a mixture of edge and corner-sharing NK6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
KN2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten N+0.50- atoms. There are a spread of K–N bond distances ranging from 2.80–3.03 Å. There are two inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded to five equivalent K1+ and two equivalent N+0.50- atoms to form a mixture of corner and edge-sharing NK5N2 pentagonal bipyramids. Both N–N bond lengths are 1.52 Å. In the second N+0.50- site, N+0.50- is bonded in a 2-coordinate geometry to five equivalent K1+ and two equivalent N+0.50- atoms.
NK1 is Halite, Rock Salt-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded to six equivalent N1- atoms to form a mixture of edge and corner-sharing KN6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of K–N bond distances ranging from 2.89–2.91 Å. N1- is bonded to six equivalent K1+ atoms to form a mixture of edge and corner-sharing NK6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°.