Materials Data on Rb3Ac by Materials Project

Abstract

Rb3Ac 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 Ac atoms to form RbRb8Ac4 cuboctahedra that share corners with four equivalent AcRb12 cuboctahedra, corners with fourteen equivalent RbRb8Ac4 cuboctahedra, edges with six equivalent AcRb12 cuboctahedra, edges with twelve equivalent RbRb8Ac4 cuboctahedra, faces with four equivalent AcRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Ac4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.55–4.76 Å. There are two shorter (4.65 Å) and two longer (4.67 Å) Rb–Ac bond lengths. Ac is bonded to twelve equivalent Rb atoms to form AcRb12 cuboctahedra that share corners with six equivalent AcRb12 cuboctahedra, corners with twelve equivalent RbRb8Ac4 cuboctahedra, edges with eighteen equivalent RbRb8Ac4 cuboctahedra, faces with eight equivalent AcRb12 cuboctahedra, and faces with twelve equivalent RbRb8Ac4 cuboctahedra.