FeBiSbS4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form edge-sharing FeS6 octahedra. Bi(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3) and two equivalent S(4) atoms. Sb(1) is bonded in a 5-coordinate geometry to two equivalent S(2) and three equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1) and three equivalent Sb(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Sb(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Bi(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Bi(1) atoms.
FeBiSbS4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form edge-sharing FeS6 octahedra. The Fe(1)-S(2) bond length is 2.27 Å. The Fe(1)-S(4) bond length is 2.19 Å. Both Fe(1)-S(1) bond lengths are 2.36 Å. Both Fe(1)-S(3) bond lengths are 2.35 Å. Bi(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3) and two equivalent S(4) atoms. The Bi(1)-S(3) bond length is 2.63 Å. Both Bi(1)-S(4) bond lengths are 2.64 Å. Sb(1) is bonded in a 5-coordinate geometry to two equivalent S(2) and three equivalent S(1) atoms. Both Sb(1)-S(2) bond lengths are 2.58 Å. There is one shorter (2.59 Å) and two longer (3.08 Å) Sb(1)-S(1) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1) and three equivalent Sb(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Sb(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Bi(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Bi(1) atoms.