Materials Data on RbNiO3 by Materials Project

Abstract

RbNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Rb–O bond lengths are 2.87 Å. Ni is bonded to six equivalent O atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.03 Å. O is bonded to four equivalent Rb and two equivalent Ni atoms to form a mixture of distorted edge, corner, and face-sharing ORb4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.