Materials Data on KWO3 by Materials Project

Abstract

KWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All K–O bond lengths are 2.84 Å. W5+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.01 Å. O2- is bonded to four equivalent K1+ and two equivalent W5+ atoms to form a mixture of distorted corner, edge, and face-sharing OK4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.