MgCo4(SbS)4 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 1-coordinate geometry to one Co(2), three equivalent Co(1), three equivalent Sb(1), and one S(2) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(2), and two equivalent S(1) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Sb(1), and three equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), one S(1), and one S(2) atom. In the second Sb site, Sb(2) is bonded to three equivalent Co(1) and one S(2) atom to form distorted SbCo3S trigonal pyramids that share corners with six equivalent S(1)Co3Sb tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(2), two equivalent Co(1), and one Sb(1) atom to form distorted SCo3Sb tetrahedra that share corners with four equivalent S(1)Co3Sb tetrahedra and corners with two equivalent Sb(2)Co3S trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Co(1), one Sb(2), and three equivalent Sb(1) atoms.
MgCo4(SbS)4 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 1-coordinate geometry to one Co(2), three equivalent Co(1), three equivalent Sb(1), and one S(2) atom. The Mg(1)-Co(2) bond length is 2.49 Å. All Mg(1)-Co(1) bond lengths are 2.80 Å. All Mg(1)-Sb(1) bond lengths are 2.61 Å. The Mg(1)-S(2) bond length is 2.21 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(2), and two equivalent S(1) atoms. The Co(1)-Sb(2) bond length is 2.57 Å. There is one shorter (2.44 Å) and one longer (2.81 Å) Co(1)-Sb(1) bond length. The Co(1)-S(2) bond length is 2.56 Å. There is one shorter (2.35 Å) and one longer (2.45 Å) Co(1)-S(1) bond length. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Sb(1), and three equivalent S(1) atoms. All Co(2)-Sb(1) bond lengths are 2.80 Å. All Co(2)-S(1) bond lengths are 2.38 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), one S(1), and one S(2) atom. The Sb(1)-S(1) bond length is 2.67 Å. The Sb(1)-S(2) bond length is 3.06 Å. In the second Sb site, Sb(2) is bonded to three equivalent Co(1) and one S(2) atom to form distorted SbCo3S trigonal pyramids that share corners with six equivalent S(1)Co3Sb tetrahedra. The Sb(2)-S(2) bond length is 2.53 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(2), two equivalent Co(1), and one Sb(1) atom to form distorted SCo3Sb tetrahedra that share corners with four equivalent S(1)Co3Sb tetrahedra and corners with two equivalent Sb(2)Co3S trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Co(1), one Sb(2), and three equivalent Sb(1) atoms.