Materials Data on KSbO3 by Materials Project

Abstract

KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.50–2.86 Å. Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.88–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+ and one Sb5+ atom to form OK3Sb tetrahedra that share corners with five OK3Sb tetrahedra, corners with six equivalent OKSb3 trigonal pyramids, and edges with three OK3Sb tetrahedra. In the second O2- site, O2- is bonded to one K1+ and three equivalent Sb5+ atoms to form distorted OKSb3 trigonal pyramids that share corners with eleven OK3Sb tetrahedra, corners with two equivalent OKSb3 trigonal pyramids, an edgeedge with one OKSb2O tetrahedra, and edges with two equivalent OKSb3 trigonal pyramids. In the third O2- site, O2- is bonded to one K1+, two equivalent Sb5+, and one O2- atom to form distorted OKSb2O tetrahedra that share corners with three equivalent OK3Sb tetrahedra, corners with five equivalent OKSb3 trigonal pyramids, edges with two OK3Sb tetrahedra, and an edgeedge with one OKSb3 trigonal pyramid. The O–O bond length is 1.48 Å.