Materials Data on Rb3Er by Materials Project

Abstract

Rb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Er atoms to form distorted RbRb8Er4 cuboctahedra that share corners with four equivalent ErRb12 cuboctahedra, corners with fourteen equivalent RbRb8Er4 cuboctahedra, edges with six equivalent ErRb12 cuboctahedra, edges with twelve equivalent RbRb8Er4 cuboctahedra, faces with four equivalent ErRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Er4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.36–4.74 Å. There are two shorter (4.47 Å) and two longer (4.55 Å) Rb–Er bond lengths. Er is bonded to twelve equivalent Rb atoms to form ErRb12 cuboctahedra that share corners with six equivalent ErRb12 cuboctahedra, corners with twelve equivalent RbRb8Er4 cuboctahedra, edges with eighteen equivalent RbRb8Er4 cuboctahedra, faces with eight equivalent ErRb12 cuboctahedra, and faces with twelve equivalent RbRb8Er4 cuboctahedra.