Materials Data on KGdO3 by Materials Project

Abstract

KGdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent GdO6 octahedra. All K–O bond lengths are 3.15 Å. Gd is bonded to six equivalent O atoms to form GdO6 octahedra that share corners with six equivalent GdO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–O bond lengths are 2.23 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Gd atoms.