Materials Data on Rb3Y by Materials Project

Abstract

Rb3Y 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 Y atoms to form distorted RbRb8Y4 cuboctahedra that share corners with twelve equivalent RbRb8Y4 cuboctahedra, edges with eight equivalent YRb12 cuboctahedra, edges with sixteen RbRb8Y4 cuboctahedra, faces with four equivalent YRb12 cuboctahedra, and faces with fourteen RbRb8Y4 cuboctahedra. There are four shorter (4.45 Å) and four longer (4.59 Å) Rb–Rb bond lengths. All Rb–Y bond lengths are 4.59 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Y atoms to form distorted RbRb8Y4 cuboctahedra that share corners with four equivalent RbRb8Y4 cuboctahedra, corners with eight equivalent YRb12 cuboctahedra, edges with twenty-four RbRb8Y4 cuboctahedra, faces with six equivalent YRb12 cuboctahedra, and faces with twelve RbRb8Y4 cuboctahedra. All Rb–Y bond lengths are 4.45 Å. Y is bonded to twelve Rb atoms to form YRb12 cuboctahedra that share corners with four equivalent YRb12 cuboctahedra, corners with eight equivalent RbRb8Y4 cuboctahedra, edges with eight equivalent YRb12 cuboctahedra, edges with sixteen equivalent RbRb8Y4 cuboctahedra, faces with four equivalent YRb12 cuboctahedra, and faces with fourteen RbRb8Y4 cuboctahedra.