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DOE OSTI2020

Materials Data on KCNO by Materials Project

KCNO crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. All K–N bond lengths are 2.95 Å. All K–O bond lengths are 2.99 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.18 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.25 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom. O2- is bonded in a single-bond geometry to four equivalent K1+ and one C4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KCNO by Materials Project

KCNO crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. There are two shorter (2.97 Å) and two longer (2.98 Å) K–N bond lengths. There are two shorter (2.97 Å) and two longer (3.00 Å) K–O bond lengths. C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.20 Å. The C–O bond length is 1.23 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom. O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom.

36 MATERIALS SCIENCE↗