Materials Data on KRuN2 by Materials Project

KRuN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.84 Å) and two longer (2.87 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 2.90–3.46 Å. There are two inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is two shorter (1.87 Å) and two longer (1.88 Å) Ru–N bond length. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There are a spread of Ru–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two equivalent Ru5+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent K1+ and two Ru5+ atoms. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Ru5+ atoms.