Materials Data on InCo3SnS2 by Materials Project

Abstract

Co3SnInS2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co is bonded in a distorted linear geometry to two equivalent In, two equivalent Sn, and two equivalent S atoms. Both Co–In bond lengths are 2.74 Å. Both Co–Sn bond lengths are 2.66 Å. Both Co–S bond lengths are 2.16 Å. In is bonded to six equivalent Co and six equivalent S atoms to form InCo6S6 cuboctahedra that share corners with six equivalent InCo6S6 cuboctahedra, edges with six equivalent InCo6S6 cuboctahedra, and faces with six equivalent SnCo6S2 hexagonal bipyramids. All In–S bond lengths are 3.16 Å. Sn is bonded to six equivalent Co and two equivalent S atoms to form SnCo6S2 hexagonal bipyramids that share corners with six equivalent SnCo6S2 hexagonal bipyramids and faces with six equivalent InCo6S6 cuboctahedra. Both Sn–S bond lengths are 3.03 Å. S is bonded in a 3-coordinate geometry to three equivalent Co, three equivalent In, and one Sn atom.