Materials Data on Rb3Re by Materials Project

Abstract

Rb3Re is alpha bismuth trifluoride 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 in a 12-coordinate geometry to four equivalent Rb and four equivalent Re atoms. All Rb–Rb bond lengths are 4.11 Å. All Rb–Re bond lengths are 4.11 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Re atoms to form distorted RbRb8Re4 cuboctahedra that share corners with four equivalent RbRb8Re4 cuboctahedra, corners with eight equivalent ReRb12 cuboctahedra, edges with eight equivalent RbRb8Re4 cuboctahedra, faces with four equivalent RbRb8Re4 cuboctahedra, and faces with six equivalent ReRb12 cuboctahedra. All Rb–Re bond lengths are 4.27 Å. Re is bonded to twelve Rb atoms to form ReRb12 cuboctahedra that share corners with four equivalent ReRb12 cuboctahedra, corners with eight equivalent RbRb8Re4 cuboctahedra, edges with eight equivalent ReRb12 cuboctahedra, faces with four equivalent ReRb12 cuboctahedra, and faces with six equivalent RbRb8Re4 cuboctahedra.