Materials Data on K6W2N4O3 by Materials Project

Abstract

K6W2N4O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to three N3- and two equivalent O2- atoms. There are a spread of K–N bond distances ranging from 2.75–3.09 Å. There are one shorter (2.78 Å) and one longer (2.79 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to three N3- and two O2- atoms. There are a spread of K–N bond distances ranging from 2.82–3.28 Å. There are one shorter (2.94 Å) and one longer (3.12 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to three N3- and three O2- atoms. There are a spread of K–N bond distances ranging from 2.78–3.27 Å. There are a spread of K–O bond distances ranging from 2.92–3.16 Å. W6+ is bonded to two N3- and two O2- atoms to form corner-sharing WN2O2 tetrahedra. There is one shorter (1.82 Å) and one longer (1.84 Å) W–N bond length. There is one shorter (1.89 Å) and one longer (1.97 Å) W–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to five K1+ and one W6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom.