Materials Data on Rb3Mo by Materials Project

Abstract

Rb3Mo 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 4-coordinate geometry to four equivalent Rb and four equivalent Mo atoms. All Rb–Rb bond lengths are 4.30 Å. All Rb–Mo bond lengths are 4.30 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Mo atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Mo4 cuboctahedra. All Rb–Mo bond lengths are 4.55 Å. Mo is bonded in a distorted body-centered cubic geometry to twelve Rb atoms.