Materials Data on RbOsO3 by Materials Project

Abstract

RbOsO3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. There are eleven shorter (2.81 Å) and one longer (2.82 Å) Rb–O bond lengths. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Os5+ atoms to form a mixture of distorted edge, face, and corner-sharing ORb4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Os5+ atoms to form a mixture of distorted edge, face, and corner-sharing ORb4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the third O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Os5+ atoms to form a mixture of distorted edge, face, and corner-sharing ORb4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.