Materials Data on Rb3Pr by Materials Project

Abstract

Rb3Pr 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 Pr atoms to form distorted RbRb8Pr4 cuboctahedra that share corners with four equivalent PrRb12 cuboctahedra, corners with fourteen equivalent RbRb8Pr4 cuboctahedra, edges with six equivalent PrRb12 cuboctahedra, edges with twelve equivalent RbRb8Pr4 cuboctahedra, faces with four equivalent PrRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Pr4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.42–4.74 Å. There are two shorter (4.56 Å) and two longer (4.58 Å) Rb–Pr bond lengths. Pr is bonded to twelve equivalent Rb atoms to form PrRb12 cuboctahedra that share corners with six equivalent PrRb12 cuboctahedra, corners with twelve equivalent RbRb8Pr4 cuboctahedra, edges with eighteen equivalent RbRb8Pr4 cuboctahedra, faces with eight equivalent PrRb12 cuboctahedra, and faces with twelve equivalent RbRb8Pr4 cuboctahedra.