Materials Data on Rb2ZrCl6 by Materials Project
Rb2ZrCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent ZrCl6 octahedra. All Rb–Cl bond lengths are 3.70 Å. Zr4+ is bonded to six equivalent Cl1- atoms to form ZrCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All Zr–Cl bond lengths are 2.49 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Zr4+ atom.