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Materials Data on K2CN2 by Materials Project

K2CN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of K–N bond distances ranging from 2.80–2.98 Å. 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 five equivalent K1+ and one C4+ atom.

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Materials Data on KCN by Materials Project

KCN crystallizes in the monoclinic Cm space group. The structure is three-dimensional. K1+ is bonded to four equivalent N3- atoms to form distorted corner-sharing KN4 trigonal pyramids. There are a spread of K–N bond distances ranging from 2.86–3.27 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KCN by Materials Project

KCN crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K1+ is bonded to four equivalent N3- atoms to form distorted corner-sharing KN4 trigonal pyramids. There are two shorter (2.95 Å) and two longer (2.97 Å) K–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 1-coordinate geometry to four equivalent K1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KC2N3 by Materials Project

KC2N3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 2.84–3.20 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on KC4N3 by Materials Project

K(CN)3C crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methane molecules and one K(CN)3 ribbon oriented in the (1, 0, 0) direction. In the K(CN)3 ribbon, K1+ is bonded to seven N3- atoms to form a mixture of distorted face and edge-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.88–3.09 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KC2N3 by Materials Project

KC2N3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded to seven N3- atoms to form a mixture of distorted edge and face-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.86–3.11 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.31 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on KC2N3 by Materials Project

KC2N3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to seven N3- atoms to form a mixture of distorted edge and face-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.84–3.23 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent K1+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on KCN by Materials Project

KCN crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.85–3.02 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to one N3- atom. The K–N bond length is 2.81 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.82–3.30 Å. In the fourth K1+ site, K1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.81 Å) and one longer (2.96 Å) K–N bond lengths. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.36 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.41 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.42 Å. In the fourth C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.37 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one C2+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KCN by Materials Project

KCN crystallizes in the monoclinic Cc space group. The structure is three-dimensional. K1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of K–N bond distances ranging from 2.90–3.18 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.

36 MATERIALS SCIENCE↗