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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KN3 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KN3 by Materials Project

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.

36 MATERIALS SCIENCE↗