MgFe4(SbS)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one Fe(2), one Fe(4), one Sb(1), one Sb(2), one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(3), one Sb(4), one S(2), one S(3), and one S(4) atom. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(3), one S(1), one S(2), and one S(3) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), one S(1), one S(3), and one S(4) atom. In the fourth Fe site, Fe(4) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(4), one S(1), one S(2), and one S(4) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the third Sb site, Sb(3) is bonded in a distorted trigonal pyramidal geometry to one Fe(1), one Fe(2), one Fe(3), and one S(3) atom. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Sb(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), one Fe(4), and one Sb(4) atom.
MgFe4(SbS)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one Fe(2), one Fe(4), one Sb(1), one Sb(2), one S(1), one S(2), one S(3), and one S(4) atom. The Mg(1)-Fe(2) bond length is 2.65 Å. The Mg(1)-Fe(4) bond length is 2.67 Å. The Mg(1)-Sb(1) bond length is 2.75 Å. The Mg(1)-Sb(2) bond length is 2.71 Å. The Mg(1)-S(1) bond length is 2.36 Å. The Mg(1)-S(2) bond length is 2.36 Å. The Mg(1)-S(3) bond length is 2.59 Å. The Mg(1)-S(4) bond length is 2.72 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(3), one Sb(4), one S(2), one S(3), and one S(4) atom. The Fe(1)-Sb(1) bond length is 2.55 Å. The Fe(1)-Sb(3) bond length is 2.61 Å. The Fe(1)-Sb(4) bond length is 2.77 Å. The Fe(1)-S(2) bond length is 2.23 Å. The Fe(1)-S(3) bond length is 2.34 Å. The Fe(1)-S(4) bond length is 2.26 Å. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(3), one S(1), one S(2), and one S(3) atom. The Fe(2)-Sb(1) bond length is 2.73 Å. The Fe(2)-Sb(2) bond length is 2.54 Å. The Fe(2)-Sb(3) bond length is 2.56 Å. The Fe(2)-S(1) bond length is 2.27 Å. The Fe(2)-S(2) bond length is 2.18 Å. The Fe(2)-S(3) bond length is 2.57 Å. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), one S(1), one S(3), and one S(4) atom. The Fe(3)-Sb(2) bond length is 2.56 Å. The Fe(3)-Sb(3) bond length is 2.74 Å. The Fe(3)-Sb(4) bond length is 2.63 Å. The Fe(3)-S(1) bond length is 2.22 Å. The Fe(3)-S(3) bond length is 2.25 Å. The Fe(3)-S(4) bond length is 2.34 Å. In the fourth Fe site, Fe(4) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(4), one S(1), one S(2), and one S(4) atom. The Fe(4)-Sb(1) bond length is 2.55 Å. The Fe(4)-Sb(2) bond length is 2.73 Å. The Fe(4)-Sb(4) bond length is 2.61 Å. The Fe(4)-S(1) bond length is 2.19 Å. The Fe(4)-S(2) bond length is 2.29 Å. The Fe(4)-S(4) bond length is 2.47 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the third Sb site, Sb(3) is bonded in a distorted trigonal pyramidal geometry to one Fe(1), one Fe(2), one Fe(3), and one S(3) atom. The Sb(3)-S(3) bond length is 2.83 Å. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), and one S(4) atom. The Sb(4)-S(4) bond length is 2.83 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(4) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Sb(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), one Fe(4), and one Sb(4) atom.