FeS is Modderite-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of distorted corner, face, and edge-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. In the second Fe site, Fe(2) is bonded to six equivalent S(1) atoms to form a mixture of corner, face, and edge-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Fe(2) and four equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms.
FeS is Modderite-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of distorted corner, face, and edge-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. There is one shorter (2.26 Å) and one longer (2.53 Å) Fe(1)-S(2) bond length. There are two shorter (2.29 Å) and two longer (2.49 Å) Fe(1)-S(1) bond lengths. In the second Fe site, Fe(2) is bonded to six equivalent S(1) atoms to form a mixture of corner, face, and edge-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. There are three shorter (2.27 Å) and three longer (2.44 Å) Fe(2)-S(1) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Fe(2) and four equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms.