Materials Data on Rb3Hf by Materials Project

Abstract

Rb3Hf 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 Hf atoms to form distorted RbRb8Hf4 cuboctahedra that share corners with four equivalent HfRb12 cuboctahedra, corners with fourteen equivalent RbRb8Hf4 cuboctahedra, edges with six equivalent HfRb12 cuboctahedra, edges with twelve equivalent RbRb8Hf4 cuboctahedra, faces with four equivalent HfRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Hf4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.14–4.65 Å. There are two shorter (4.24 Å) and two longer (4.40 Å) Rb–Hf bond lengths. Hf is bonded to twelve equivalent Rb atoms to form HfRb12 cuboctahedra that share corners with six equivalent HfRb12 cuboctahedra, corners with twelve equivalent RbRb8Hf4 cuboctahedra, edges with eighteen equivalent RbRb8Hf4 cuboctahedra, faces with eight equivalent HfRb12 cuboctahedra, and faces with twelve equivalent RbRb8Hf4 cuboctahedra.