Materials Data on Rb3Tm by Materials Project

Abstract

Rb3Tm is Uranium Silicide-like 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 eight Rb and four equivalent Tm atoms to form distorted RbRb8Tm4 cuboctahedra that share corners with twelve equivalent RbRb8Tm4 cuboctahedra, edges with eight equivalent TmRb12 cuboctahedra, edges with sixteen RbRb8Tm4 cuboctahedra, faces with four equivalent TmRb12 cuboctahedra, and faces with fourteen RbRb8Tm4 cuboctahedra. There are four shorter (4.45 Å) and four longer (4.56 Å) Rb–Rb bond lengths. All Rb–Tm bond lengths are 4.56 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Tm atoms to form distorted RbRb8Tm4 cuboctahedra that share corners with four equivalent RbRb8Tm4 cuboctahedra, corners with eight equivalent TmRb12 cuboctahedra, edges with twenty-four RbRb8Tm4 cuboctahedra, faces with six equivalent TmRb12 cuboctahedra, and faces with twelve RbRb8Tm4 cuboctahedra. All Rb–Tm bond lengths are 4.45 Å. Tm is bonded to twelve Rb atoms to form TmRb12 cuboctahedra that share corners with four equivalent TmRb12 cuboctahedra, corners with eight equivalent RbRb8Tm4 cuboctahedra, edges with eight equivalent TmRb12 cuboctahedra, edges with sixteen equivalent RbRb8Tm4 cuboctahedra, faces with four equivalent TmRb12 cuboctahedra, and faces with fourteen RbRb8Tm4 cuboctahedra.