Materials Data on KOsNO3 by Materials Project

Abstract

KOsNO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.96 Å) and one longer (3.02 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.89–2.98 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.94 Å) and one longer (3.03 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.90–2.97 Å. There are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. In the second Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.71 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom.