Materials Data on In2Rh3S2 by Materials Project

Abstract

Rh3In2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rh is bonded to four In and two equivalent S atoms to form distorted RhIn4S2 octahedra that share corners with two equivalent InRh6S2 hexagonal bipyramids, corners with twelve equivalent RhIn4S2 octahedra, and faces with four equivalent RhIn4S2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. There are two shorter (2.82 Å) and two longer (2.85 Å) Rh–In bond lengths. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent In sites. In the first In site, In is bonded in a distorted hexagonal planar geometry to six equivalent Rh atoms. In the second In site, In is bonded to six equivalent Rh and two equivalent S atoms to form InRh6S2 hexagonal bipyramids that share corners with six equivalent InRh6S2 hexagonal bipyramids and corners with six equivalent RhIn4S2 octahedra. The corner-sharing octahedral tilt angles are 46°. Both In–S bond lengths are 2.95 Å. S is bonded in a 4-coordinate geometry to three equivalent Rh and one In atom.