MgCo4(NiS4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent Co(1), two equivalent Co(2), two equivalent S(1), and two equivalent S(4) atoms. 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 S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Ni site, Ni(2) is bonded in a tetrahedral geometry to two equivalent S(2) and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted linear geometry to one Mg(1), one Co(1), two equivalent Co(2), and one Ni(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Co(2), two equivalent Co(1), and one Ni(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Ni(2) atom. In the fourth S site, S(4) is bonded in a distorted linear geometry to one Mg(1), one Co(2), two equivalent Co(1), and one Ni(1) atom.
MgCo4(NiS4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent Co(1), two equivalent Co(2), two equivalent S(1), and two equivalent S(4) atoms. Both Mg(1)-Co(1) bond lengths are 2.42 Å. Both Mg(1)-Co(2) bond lengths are 2.42 Å. Both Mg(1)-S(1) bond lengths are 2.19 Å. Both Mg(1)-S(4) bond lengths are 2.18 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 S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. The Co(1)-S(1) bond length is 2.66 Å. The Co(1)-S(3) bond length is 2.22 Å. Both Co(1)-S(2) bond lengths are 2.22 Å. Both Co(1)-S(4) bond lengths are 2.68 Å. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. The Co(2)-S(2) bond length is 2.22 Å. The Co(2)-S(4) bond length is 2.66 Å. Both Co(2)-S(1) bond lengths are 2.66 Å. Both Co(2)-S(3) bond lengths are 2.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(4) atoms. Both Ni(1)-S(1) bond lengths are 2.09 Å. Both Ni(1)-S(4) bond lengths are 2.09 Å. In the second Ni site, Ni(2) is bonded in a tetrahedral geometry to two equivalent S(2) and two equivalent S(3) atoms. Both Ni(2)-S(2) bond lengths are 2.29 Å. Both Ni(2)-S(3) bond lengths are 2.29 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted linear geometry to one Mg(1), one Co(1), two equivalent Co(2), and one Ni(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Co(2), two equivalent Co(1), and one Ni(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Ni(2) atom. In the fourth S site, S(4) is bonded in a distorted linear geometry to one Mg(1), one Co(2), two equivalent Co(1), and one Ni(1) atom.