GdMn12 crystallizes in the monoclinic Cm space group. Gd(1) is bonded in a 20-coordinate geometry to one Mn(1), one Mn(10), one Mn(7), one Mn(8), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), two equivalent Mn(6), four equivalent Mn(5), and four equivalent Mn(9) atoms. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(3), one Mn(4), one Mn(8), two equivalent Mn(10), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the second Mn site, Mn(2) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(1), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the third Mn site, Mn(3) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(10), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(5) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the seventh Mn site, Mn(7) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(10), one Mn(2), one Mn(6), two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms. In the eighth Mn site, Mn(8) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(1), one Mn(3), one Mn(4), two equivalent Mn(10), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. In the ninth Mn site, Mn(9) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. In the tenth Mn site, Mn(10) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(2), one Mn(6), one Mn(7), two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms.
GdMn12 crystallizes in the monoclinic Cm space group. Gd(1) is bonded in a 20-coordinate geometry to one Mn(1), one Mn(10), one Mn(7), one Mn(8), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), two equivalent Mn(6), four equivalent Mn(5), and four equivalent Mn(9) atoms. The Gd(1)-Mn(1) bond length is 3.00 Å. The Gd(1)-Mn(10) bond length is 3.03 Å. The Gd(1)-Mn(7) bond length is 3.01 Å. The Gd(1)-Mn(8) bond length is 3.02 Å. Both Gd(1)-Mn(2) bond lengths are 2.98 Å. Both Gd(1)-Mn(3) bond lengths are 3.00 Å. Both Gd(1)-Mn(4) bond lengths are 2.99 Å. Both Gd(1)-Mn(6) bond lengths are 2.99 Å. There are two shorter (3.15 Å) and two longer (3.17 Å) Gd(1)-Mn(5) bond lengths. All Gd(1)-Mn(9) bond lengths are 3.16 Å. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(3), one Mn(4), one Mn(8), two equivalent Mn(10), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms. The Mn(1)-Mn(3) bond length is 2.53 Å. The Mn(1)-Mn(4) bond length is 2.54 Å. The Mn(1)-Mn(8) bond length is 2.29 Å. Both Mn(1)-Mn(10) bond lengths are 2.82 Å. Both Mn(1)-Mn(2) bond lengths are 2.57 Å. Both Mn(1)-Mn(5) bond lengths are 2.55 Å. Both Mn(1)-Mn(7) bond lengths are 2.83 Å. Both Mn(1)-Mn(9) bond lengths are 2.54 Å. In the second Mn site, Mn(2) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(1), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. The Mn(2)-Mn(10) bond length is 2.53 Å. The Mn(2)-Mn(3) bond length is 2.68 Å. The Mn(2)-Mn(4) bond length is 2.68 Å. The Mn(2)-Mn(7) bond length is 2.54 Å. Both Mn(2)-Mn(5) bond lengths are 2.38 Å. Both Mn(2)-Mn(9) bond lengths are 2.38 Å. In the third Mn site, Mn(3) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(10), two equivalent Mn(5), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. The Mn(3)-Mn(6) bond length is 2.69 Å. The Mn(3)-Mn(8) bond length is 2.53 Å. Both Mn(3)-Mn(10) bond lengths are 2.57 Å. Both Mn(3)-Mn(5) bond lengths are 2.39 Å. Both Mn(3)-Mn(9) bond lengths are 2.39 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent Gd(1), one Mn(1), one Mn(2), one Mn(6), one Mn(8), two equivalent Mn(5), two equivalent Mn(7), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. The Mn(4)-Mn(6) bond length is 2.68 Å. The Mn(4)-Mn(8) bond length is 2.53 Å. Both Mn(4)-Mn(5) bond lengths are 2.38 Å. Both Mn(4)-Mn(7) bond lengths are 2.56 Å. Both Mn(4)-Mn(9) bond lengths are 2.37 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(5) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. The Mn(5)-Mn(10) bond length is 2.56 Å. The Mn(5)-Mn(6) bond length is 2.39 Å. The Mn(5)-Mn(7) bond length is 2.55 Å. The Mn(5)-Mn(8) bond length is 2.56 Å. Both Mn(5)-Mn(5) bond lengths are 2.31 Å. In the sixth Mn site, Mn(6) is bonded to two equivalent Gd(1), one Mn(10), one Mn(3), one Mn(4), one Mn(7), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. The Mn(6)-Mn(10) bond length is 2.53 Å. The Mn(6)-Mn(7) bond length is 2.54 Å. Both Mn(6)-Mn(8) bond lengths are 2.57 Å. Both Mn(6)-Mn(9) bond lengths are 2.40 Å. In the seventh Mn site, Mn(7) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(10), one Mn(2), one Mn(6), two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms. The Mn(7)-Mn(10) bond length is 2.28 Å. Both Mn(7)-Mn(8) bond lengths are 2.82 Å. Both Mn(7)-Mn(9) bond lengths are 2.54 Å. In the eighth Mn site, Mn(8) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(1), one Mn(3), one Mn(4), two equivalent Mn(10), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(9) atoms. Both Mn(8)-Mn(10) bond lengths are 2.82 Å. Both Mn(8)-Mn(9) bond lengths are 2.58 Å. In the ninth Mn site, Mn(9) is bonded to two equivalent Gd(1), one Mn(1), one Mn(10), one Mn(2), one Mn(3), one Mn(4), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(9) atoms to form a mixture of distorted face, corner, and edge-sharing MnGd2Mn10 cuboctahedra. The Mn(9)-Mn(10) bond length is 2.58 Å. Both Mn(9)-Mn(9) bond lengths are 2.31 Å. In the tenth Mn site, Mn(10) is bonded in a 14-coordinate geometry to one Gd(1), one Mn(2), one Mn(6), one Mn(7), two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), two equivalent Mn(8), and two equivalent Mn(9) atoms.