MgZn2(Ni2S5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), one Zn(1), two equivalent S(10), two equivalent S(2), and two equivalent S(7) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Mg(1), one S(10), one S(2), one S(4), and two equivalent S(3) atoms to form distorted NiMg2S5 trigonal bipyramids that share corners with two equivalent S(2)Mg2Zn2Ni2 octahedra, corners with two equivalent Ni(4)Mg2S5 trigonal bipyramids,  an edgeedge with one S(2)Mg2Zn2Ni2 octahedra, edges with two equivalent Ni(1)Mg2S5 trigonal bipyramids, edges with two equivalent Ni(2)S5 trigonal bipyramids, and  a faceface with one Ni(4)Mg2S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 77-78°. In the second Ni site, Ni(2) is bonded to one S(1), one S(3), one S(9), and two equivalent S(4) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(3)S5 trigonal bipyramid, corners with two equivalent Ni(2)S5 trigonal bipyramids, and edges with two equivalent Ni(1)Mg2S5 trigonal bipyramids. In the third Ni site, Ni(3) is bonded to one S(1), one S(5), one S(8), and two equivalent S(6) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(2)S5 trigonal bipyramid, corners with two equivalent Ni(3)S5 trigonal bipyramids, and edges with two equivalent Ni(4)Mg2S5 trigonal bipyramids. In the fourth Ni site, Ni(4) is bonded to two equivalent Mg(1), one S(2), one S(6), one S(7), and two equivalent S(5) atoms to form distorted NiMg2S5 trigonal bipyramids that share corners with two equivalent S(2)Mg2Zn2Ni2 octahedra, corners with two equivalent Ni(1)Mg2S5 trigonal bipyramids,  an edgeedge with one S(2)Mg2Zn2Ni2 octahedra, edges with two equivalent Ni(4)Mg2S5 trigonal bipyramids, edges with two equivalent Ni(3)S5 trigonal bipyramids, and  a faceface with one Ni(1)Mg2S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 77-78°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent S(10), two equivalent S(2), and two equivalent S(7) atoms. In the second Zn site, Zn(2) is bonded in a distorted hexagonal planar geometry to two equivalent S(1), two equivalent S(8), and two equivalent S(9) atoms. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2), one Ni(3), and two equivalent Zn(2) atoms to form corner-sharing SZn2Ni2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Mg(1), one Ni(1), one Ni(4), and two equivalent Zn(1) atoms to form distorted SMg2Zn2Ni2 octahedra that share corners with two equivalent Ni(1)Mg2S5 trigonal bipyramids, corners with two equivalent Ni(4)Mg2S5 trigonal bipyramids, edges with two equivalent S(2)Mg2Zn2Ni2 octahedra,  an edgeedge with one Ni(1)Mg2S5 trigonal bipyramid, and  an edgeedge with one Ni(4)Mg2S5 trigonal bipyramid. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Ni(2) and two equivalent Ni(1) atoms. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the fifth S site, S(5) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(4) atoms. In the sixth S site, S(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(4) and two equivalent Ni(3) atoms. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(4), and two equivalent Zn(1) atoms. In the eighth S site, S(8) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Zn(2), and one S(9) atom. In the ninth S site, S(9) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Zn(2), and one S(8) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(1), and two equivalent Zn(1) atoms.
MgZn2(Ni2S5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), one Zn(1), two equivalent S(10), two equivalent S(2), and two equivalent S(7) atoms. There is one shorter (2.83 Å) and one longer (2.87 Å) Mg(1)-Ni(1) bond length. There is one shorter (2.82 Å) and one longer (2.86 Å) Mg(1)-Ni(4) bond length. The Mg(1)-Zn(1) bond length is 2.79 Å. There is one shorter (2.61 Å) and one longer (2.71 Å) Mg(1)-S(10) bond length. Both Mg(1)-S(2) bond lengths are 2.69 Å. There is one shorter (2.61 Å) and one longer (2.71 Å) Mg(1)-S(7) bond length. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Mg(1), one S(10), one S(2), one S(4), and two equivalent S(3) atoms to form distorted NiMg2S5 trigonal bipyramids that share corners with two equivalent S(2)Mg2Zn2Ni2 octahedra, corners with two equivalent Ni(4)Mg2S5 trigonal bipyramids,  an edgeedge with one S(2)Mg2Zn2Ni2 octahedra, edges with two equivalent Ni(1)Mg2S5 trigonal bipyramids, edges with two equivalent Ni(2)S5 trigonal bipyramids, and  a faceface with one Ni(4)Mg2S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 77-78°. The Ni(1)-S(10) bond length is 2.26 Å. The Ni(1)-S(2) bond length is 2.30 Å. The Ni(1)-S(4) bond length is 2.22 Å. There is one shorter (2.20 Å) and one longer (2.21 Å) Ni(1)-S(3) bond length. In the second Ni site, Ni(2) is bonded to one S(1), one S(3), one S(9), and two equivalent S(4) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(3)S5 trigonal bipyramid, corners with two equivalent Ni(2)S5 trigonal bipyramids, and edges with two equivalent Ni(1)Mg2S5 trigonal bipyramids. The Ni(2)-S(1) bond length is 2.24 Å. The Ni(2)-S(3) bond length is 2.23 Å. The Ni(2)-S(9) bond length is 2.22 Å. Both Ni(2)-S(4) bond lengths are 2.22 Å. In the third Ni site, Ni(3) is bonded to one S(1), one S(5), one S(8), and two equivalent S(6) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(2)S5 trigonal bipyramid, corners with two equivalent Ni(3)S5 trigonal bipyramids, and edges with two equivalent Ni(4)Mg2S5 trigonal bipyramids. The Ni(3)-S(1) bond length is 2.24 Å. The Ni(3)-S(5) bond length is 2.23 Å. The Ni(3)-S(8) bond length is 2.21 Å. Both Ni(3)-S(6) bond lengths are 2.23 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent Mg(1), one S(2), one S(6), one S(7), and two equivalent S(5) atoms to form distorted NiMg2S5 trigonal bipyramids that share corners with two equivalent S(2)Mg2Zn2Ni2 octahedra, corners with two equivalent Ni(1)Mg2S5 trigonal bipyramids,  an edgeedge with one S(2)Mg2Zn2Ni2 octahedra, edges with two equivalent Ni(4)Mg2S5 trigonal bipyramids, edges with two equivalent Ni(3)S5 trigonal bipyramids, and  a faceface with one Ni(1)Mg2S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 77-78°. The Ni(4)-S(2) bond length is 2.30 Å. The Ni(4)-S(6) bond length is 2.22 Å. The Ni(4)-S(7) bond length is 2.25 Å. Both Ni(4)-S(5) bond lengths are 2.21 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent S(10), two equivalent S(2), and two equivalent S(7) atoms. There is one shorter (2.65 Å) and one longer (2.78 Å) Zn(1)-S(10) bond length. There is one shorter (2.47 Å) and one longer (2.48 Å) Zn(1)-S(2) bond length. There is one shorter (2.73 Å) and one longer (2.80 Å) Zn(1)-S(7) bond length. In the second Zn site, Zn(2) is bonded in a distorted hexagonal planar geometry to two equivalent S(1), two equivalent S(8), and two equivalent S(9) atoms. Both Zn(2)-S(1) bond lengths are 2.43 Å. There is one shorter (2.67 Å) and one longer (2.68 Å) Zn(2)-S(8) bond length. There is one shorter (2.63 Å) and one longer (2.68 Å) Zn(2)-S(9) bond length. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2), one Ni(3), and two equivalent Zn(2) atoms to form corner-sharing SZn2Ni2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Mg(1), one Ni(1), one Ni(4), and two equivalent Zn(1) atoms to form distorted SMg2Zn2Ni2 octahedra that share corners with two equivalent Ni(1)Mg2S5 trigonal bipyramids, corners with two equivalent Ni(4)Mg2S5 trigonal bipyramids, edges with two equivalent S(2)Mg2Zn2Ni2 octahedra,  an edgeedge with one Ni(1)Mg2S5 trigonal bipyramid, and  an edgeedge with one Ni(4)Mg2S5 trigonal bipyramid. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Ni(2) and two equivalent Ni(1) atoms. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the fifth S site, S(5) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(4) atoms. In the sixth S site, S(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(4) and two equivalent Ni(3) atoms. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(4), and two equivalent Zn(1) atoms. In the eighth S site, S(8) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Zn(2), and one S(9) atom. The S(8)-S(9) bond length is 2.11 Å. In the ninth S site, S(9) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Zn(2), and one S(8) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(1), and two equivalent Zn(1) atoms.