Ho12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Ho site, Ho(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form a mixture of distorted edge and corner-sharing HoC5 square pyramids. In the third Ho site, Ho(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Ho(2), two equivalent Ho(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Ho(1), two equivalent Ho(2), and two equivalent Mn(1) atoms to form CHo4Mn2 octahedra that share corners with four equivalent C(2)Ho4Mn2 octahedra and edges with four equivalent C(4)Ho5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Ho(2), two equivalent Ho(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Ho(1), two equivalent Ho(2), two equivalent Ho(3), and one Mn(2) atom to form distorted CHo5Mn octahedra that share corners with five equivalent C(4)Ho5Mn octahedra, edges with two equivalent C(2)Ho4Mn2 octahedra, and edges with three equivalent C(4)Ho5Mn octahedra. The corner-sharing octahedral tilt angles range from 9-42°.
Ho12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. Both Ho(1)-C(2) bond lengths are 2.51 Å. Both Ho(1)-C(4) bond lengths are 2.52 Å. In the second Ho site, Ho(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form a mixture of distorted edge and corner-sharing HoC5 square pyramids. The Ho(2)-C(1) bond length is 2.43 Å. The Ho(2)-C(2) bond length is 2.33 Å. The Ho(2)-C(3) bond length is 2.52 Å. Both Ho(2)-C(4) bond lengths are 2.52 Å. In the third Ho site, Ho(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. Both Ho(3)-C(1) bond lengths are 2.72 Å. Both Ho(3)-C(3) bond lengths are 2.53 Å. There are two shorter (2.66 Å) and two longer (2.71 Å) Ho(3)-C(4) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. The Mn(1)-C(1) bond length is 1.81 Å. Both Mn(1)-C(2) bond lengths are 1.94 Å. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. All Mn(2)-C(4) bond lengths are 1.76 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Ho(2), two equivalent Ho(3), one Mn(1), and one C(3) atom. The C(1)-C(3) bond length is 1.35 Å. In the second C site, C(2) is bonded to two equivalent Ho(1), two equivalent Ho(2), and two equivalent Mn(1) atoms to form CHo4Mn2 octahedra that share corners with four equivalent C(2)Ho4Mn2 octahedra and edges with four equivalent C(4)Ho5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Ho(2), two equivalent Ho(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Ho(1), two equivalent Ho(2), two equivalent Ho(3), and one Mn(2) atom to form distorted CHo5Mn octahedra that share corners with five equivalent C(4)Ho5Mn octahedra, edges with two equivalent C(2)Ho4Mn2 octahedra, and edges with three equivalent C(4)Ho5Mn octahedra. The corner-sharing octahedral tilt angles range from 9-42°.