Materials Data on K3W2N5 by Materials Project

K3W2N5 crystallizes in the tetragonal I4_1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.72–3.33 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.02 Å. In the third 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 2.89–3.31 Å. In the fourth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.71 Å) and two longer (2.77 Å) K–N bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.77–1.95 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.78–1.93 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one W6+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four K1+ and one W6+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two equivalent W6+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two K1+ and two equivalent W6+ atoms. In the fifth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+ and two W6+ atoms.