Materials Data on Rb3Sr by Materials Project

Abstract

Rb3Sr 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 eight Rb and four equivalent Sr atoms to form RbRb8Sr4 cuboctahedra that share corners with twelve equivalent RbRb8Sr4 cuboctahedra, edges with eight equivalent SrRb12 cuboctahedra, edges with sixteen RbRb8Sr4 cuboctahedra, faces with four equivalent SrRb12 cuboctahedra, and faces with fourteen RbRb8Sr4 cuboctahedra. There are four shorter (4.82 Å) and four longer (4.86 Å) Rb–Rb bond lengths. All Rb–Sr bond lengths are 4.86 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Sr atoms to form RbRb8Sr4 cuboctahedra that share corners with four equivalent RbRb8Sr4 cuboctahedra, corners with eight equivalent SrRb12 cuboctahedra, edges with twenty-four RbRb8Sr4 cuboctahedra, faces with six equivalent SrRb12 cuboctahedra, and faces with twelve RbRb8Sr4 cuboctahedra. All Rb–Sr bond lengths are 4.82 Å. Sr is bonded to twelve Rb atoms to form SrRb12 cuboctahedra that share corners with four equivalent SrRb12 cuboctahedra, corners with eight equivalent RbRb8Sr4 cuboctahedra, edges with eight equivalent SrRb12 cuboctahedra, edges with sixteen equivalent RbRb8Sr4 cuboctahedra, faces with four equivalent SrRb12 cuboctahedra, and faces with fourteen RbRb8Sr4 cuboctahedra.