Materials Data on CsRb2InCl6 by Materials Project
CsRb2InCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.24 Å. Rb1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. All Rb–Cl bond lengths are 4.10 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a linear geometry to one Cs1+, four equivalent Rb1+, and one In3+ atom.