Materials Data on In2Sb by Materials Project
In2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded to five equivalent Sb3- atoms to form InSb5 trigonal bipyramids that share corners with twelve equivalent InSb6 octahedra, corners with eight equivalent InSb5 trigonal bipyramids, edges with six equivalent InSb5 trigonal bipyramids, and faces with six equivalent InSb6 octahedra. The corner-sharing octahedra tilt angles range from 28–62°. There are three shorter (3.11 Å) and two longer (3.36 Å) In–Sb bond lengths. In the second In+1.50+ site, In+1.50+ is bonded to six equivalent Sb3- atoms to form distorted InSb6 octahedra that share corners with twelve equivalent InSb6 octahedra, corners with twelve equivalent InSb5 trigonal bipyramids, edges with six equivalent InSb6 octahedra, faces with two equivalent InSb6 octahedra, and faces with six equivalent InSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. All In–Sb bond lengths are 3.53 Å. Sb3- is bonded to eleven In+1.50+ atoms to form a mixture of distorted corner and face-sharing SbIn11 trigonal bipyramids.