MgDy6(Sb5O12)2 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Dy(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(4) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(6) atoms. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Dy(1) and one Sb(2) atom. In the second O site, O(1) is bonded to one Mg(1), two equivalent Dy(1), and one Sb(1) atom to form distorted ODy2MgSb tetrahedra that share corners with two equivalent O(5)Dy2Sb2 tetrahedra and edges with two equivalent O(1)Dy2MgSb tetrahedra. In the third O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy(1) and one Sb(3) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Dy(1) and one Sb(3) atom. In the fifth O site, O(5) is bonded to two equivalent Dy(1), one Sb(2), and one Sb(4) atom to form distorted corner-sharing ODy2Sb2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Dy(1), one Sb(3), and one Sb(4) atom.
MgDy6(Sb5O12)2 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.12 Å. Dy(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. The Dy(1)-O(1) bond length is 2.48 Å. The Dy(1)-O(2) bond length is 2.23 Å. The Dy(1)-O(3) bond length is 2.28 Å. The Dy(1)-O(5) bond length is 2.46 Å. There is one shorter (2.32 Å) and one longer (2.35 Å) Dy(1)-O(4) bond length. There is one shorter (2.60 Å) and one longer (2.86 Å) Dy(1)-O(6) bond length. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.06 Å. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(4) atoms. The Sb(2)-O(5) bond length is 2.17 Å. Both Sb(2)-O(4) bond lengths are 1.99 Å. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(6) atoms. The Sb(3)-O(2) bond length is 1.99 Å. The Sb(3)-O(3) bond length is 1.98 Å. Both Sb(3)-O(6) bond lengths are 2.23 Å. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(6) atoms. The Sb(4)-O(5) bond length is 2.08 Å. Both Sb(4)-O(6) bond lengths are 2.02 Å. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Dy(1) and one Sb(2) atom. In the second O site, O(1) is bonded to one Mg(1), two equivalent Dy(1), and one Sb(1) atom to form distorted ODy2MgSb tetrahedra that share corners with two equivalent O(5)Dy2Sb2 tetrahedra and edges with two equivalent O(1)Dy2MgSb tetrahedra. In the third O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy(1) and one Sb(3) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Dy(1) and one Sb(3) atom. In the fifth O site, O(5) is bonded to two equivalent Dy(1), one Sb(2), and one Sb(4) atom to form distorted corner-sharing ODy2Sb2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Dy(1), one Sb(3), and one Sb(4) atom.