Sr2MgGdRuCu2O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one Ru(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms to form a mixture of corner, face, and edge-sharing OSr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°.
Sr2MgGdRuCu2O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. All Sr(1)-O(2) bond lengths are 3.03 Å. All Sr(1)-O(3) bond lengths are 2.68 Å. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 1.99 Å. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(3) atoms. All Gd(1)-O(3) bond lengths are 2.50 Å. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. Both Ru(1)-O(2) bond lengths are 2.04 Å. All Ru(1)-O(1) bond lengths are 1.99 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. All Cu(1)-O(3) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one Ru(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms to form a mixture of corner, face, and edge-sharing OSr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°.