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DOE OSTI2019

Materials Data on KN2 by Materials Project

KN2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded to eight equivalent N+0.50- atoms to form KN8 hexagonal bipyramids that share corners with eight equivalent NK4N square pyramids and edges with twelve equivalent KN8 hexagonal bipyramids. There are four shorter (2.88 Å) and four longer (3.03 Å) K–N bond lengths. N+0.50- is bonded to four equivalent K1+ and one N+0.50- atom to form distorted NK4N square pyramids that share corners with four equivalent KN8 hexagonal bipyramids, corners with sixteen equivalent NK4N square pyramids, and edges with six equivalent NK4N square pyramids. The N–N bond length is 1.19 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KN2 by Materials Project

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.

36 MATERIALS SCIENCE↗