Pr3FeInS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. In(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and two equivalent Fe(1) atoms to form SPr3Fe2 square pyramids that share corners with two equivalent S(1)Pr3Fe2 square pyramids, corners with three equivalent S(3)Pr3In tetrahedra, edges with four equivalent S(1)Pr3Fe2 square pyramids, and faces with two equivalent S(1)Pr3Fe2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Pr(1) and one In(1) atom. In the third S site, S(3) is bonded to three equivalent Pr(1) and one In(1) atom to form corner-sharing SPr3In tetrahedra.
Pr3FeInS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. The Pr(1)-S(3) bond length is 2.85 Å. There are a spread of Pr(1)-S(1) bond distances ranging from 2.89-2.96 Å. There are a spread of Pr(1)-S(2) bond distances ranging from 2.91-3.12 Å. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. There are three shorter (2.50 Å) and three longer (2.57 Å) Fe(1)-S(1) bond lengths. In(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. The In(1)-S(3) bond length is 2.43 Å. All In(1)-S(2) bond lengths are 2.47 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and two equivalent Fe(1) atoms to form SPr3Fe2 square pyramids that share corners with two equivalent S(1)Pr3Fe2 square pyramids, corners with three equivalent S(3)Pr3In tetrahedra, edges with four equivalent S(1)Pr3Fe2 square pyramids, and faces with two equivalent S(1)Pr3Fe2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Pr(1) and one In(1) atom. In the third S site, S(3) is bonded to three equivalent Pr(1) and one In(1) atom to form corner-sharing SPr3In tetrahedra.