Materials Data on RbInH3 by Materials Project

Abstract

RbInH3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent H1- atoms to form RbH12 cuboctahedra that share corners with twelve equivalent RbH12 cuboctahedra, faces with six equivalent RbH12 cuboctahedra, and faces with eight InH6 octahedra. All Rb–H bond lengths are 3.14 Å. There are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded to six equivalent H1- atoms to form InH6 octahedra that share corners with six equivalent InH6 octahedra and faces with eight equivalent RbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–H bond lengths are 1.99 Å. In the second In2+ site, In2+ is bonded to six equivalent H1- atoms to form InH6 octahedra that share corners with six equivalent InH6 octahedra and faces with eight equivalent RbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–H bond lengths are 2.43 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and two In2+ atoms.