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Materials Data on KCo(N3O4)2 by Materials Project

K(NO2)4CoN2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four diamino cobalt molecules and two K(NO2)4 ribbons oriented in the (1, 0, 0) direction. In each K(NO2)4 ribbon, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.11 Å. There are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.23 Å. In the second N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the third N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.23 Å) N–O bond length. In the fourth N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on K3Co(NO2)6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗