Materials Data on Rb3Os by Materials Project

Abstract

Rb3Os is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Os atoms to form distorted RbRb4Os4 tetrahedra that share corners with eight equivalent RbRb8Os4 cuboctahedra, corners with eight equivalent RbRb4Os4 tetrahedra, edges with four equivalent RbRb8Os4 cuboctahedra, edges with twelve equivalent RbRb4Os4 tetrahedra, and faces with six equivalent RbRb4Os4 tetrahedra. All Rb–Rb bond lengths are 3.82 Å. All Rb–Os bond lengths are 3.82 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Os atoms to form RbRb8Os4 cuboctahedra that share corners with four equivalent RbRb8Os4 cuboctahedra, corners with sixteen equivalent RbRb4Os4 tetrahedra, edges with eight equivalent RbRb8Os4 cuboctahedra, edges with eight equivalent RbRb4Os4 tetrahedra, and faces with four equivalent RbRb8Os4 cuboctahedra. All Rb–Os bond lengths are 4.26 Å. Os is bonded in a distorted body-centered cubic geometry to twelve Rb atoms.