Materials Data on Rb3Pm by Materials Project

Abstract

Rb3Pm 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 Pm atoms to form RbRb8Pm4 cuboctahedra that share corners with twelve equivalent RbRb8Pm4 cuboctahedra, edges with eight equivalent RbRb8Pm4 cuboctahedra, edges with eight equivalent PmRb12 cuboctahedra, faces with four equivalent PmRb12 cuboctahedra, and faces with ten equivalent RbRb8Pm4 cuboctahedra. There are four shorter (4.35 Å) and four longer (4.66 Å) Rb–Rb bond lengths. All Rb–Pm bond lengths are 4.66 Å. In the second Rb site, Rb is bonded in a distorted square co-planar geometry to eight equivalent Rb and four equivalent Pm atoms. All Rb–Pm bond lengths are 4.35 Å. Pm is bonded to twelve Rb atoms to form PmRb12 cuboctahedra that share corners with four equivalent PmRb12 cuboctahedra, edges with eight equivalent PmRb12 cuboctahedra, edges with sixteen equivalent RbRb8Pm4 cuboctahedra, faces with four equivalent PmRb12 cuboctahedra, and faces with eight equivalent RbRb8Pm4 cuboctahedra.