GdCu3Mn4O12 crystallizes in the triclinic P-1 space group. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form GdO12 cuboctahedra that share faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-43°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Gd(1), one Mn(2), one Mn(3), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OGdMn2Cu tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), one Mn(1), one Mn(3), and one Cu(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Mn(1), one Mn(2), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Mn(3), one Mn(4), and one Cu(2) atom. In the fifth O site, O(5) is bonded to one Gd(1), one Mn(1), one Mn(4), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OGdMn2Cu tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Gd(1), one Mn(2), one Mn(4), and one Cu(3) atom.
GdCu3Mn4O12 crystallizes in the triclinic P-1 space group. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form GdO12 cuboctahedra that share faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. Both Gd(1)-O(1) bond lengths are 2.53 Å. Both Gd(1)-O(2) bond lengths are 2.58 Å. Both Gd(1)-O(3) bond lengths are 2.63 Å. Both Gd(1)-O(4) bond lengths are 2.63 Å. Both Gd(1)-O(5) bond lengths are 2.56 Å. Both Gd(1)-O(6) bond lengths are 2.57 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-43°. Both Mn(1)-O(2) bond lengths are 2.09 Å. Both Mn(1)-O(3) bond lengths are 1.97 Å. Both Mn(1)-O(5) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-43°. Both Mn(2)-O(1) bond lengths are 1.94 Å. Both Mn(2)-O(3) bond lengths are 1.93 Å. Both Mn(2)-O(6) bond lengths are 1.91 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-43°. Both Mn(3)-O(1) bond lengths are 1.99 Å. Both Mn(3)-O(2) bond lengths are 1.98 Å. Both Mn(3)-O(4) bond lengths are 1.93 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-43°. Both Mn(4)-O(4) bond lengths are 1.96 Å. Both Mn(4)-O(5) bond lengths are 1.98 Å. Both Mn(4)-O(6) bond lengths are 2.16 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. Both Cu(1)-O(1) bond lengths are 1.96 Å. Both Cu(1)-O(5) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Cu(2)-O(3) bond lengths are 1.99 Å. Both Cu(2)-O(4) bond lengths are 1.99 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(6) atoms. Both Cu(3)-O(2) bond lengths are 1.89 Å. Both Cu(3)-O(6) bond lengths are 1.89 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Gd(1), one Mn(2), one Mn(3), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OGdMn2Cu tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), one Mn(1), one Mn(3), and one Cu(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Mn(1), one Mn(2), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Mn(3), one Mn(4), and one Cu(2) atom. In the fifth O site, O(5) is bonded to one Gd(1), one Mn(1), one Mn(4), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OGdMn2Cu tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Gd(1), one Mn(2), one Mn(4), and one Cu(3) atom.