TmHo3Mn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. Tm(1) is bonded in a 16-coordinate geometry to one Ho(3), three equivalent Ho(1), one Mn(6), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), and four equivalent Mn(3) atoms. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 16-coordinate geometry to three equivalent Tm(1), one Ho(2), one Mn(4), two equivalent Mn(3), two equivalent Mn(6), three equivalent Mn(1), and four equivalent Mn(5) atoms. In the second Ho site, Ho(2) is bonded in a 16-coordinate geometry to one Ho(1), three equivalent Ho(3), one Mn(4), two equivalent Mn(3), two equivalent Mn(6), three equivalent Mn(2), and four equivalent Mn(5) atoms. In the third Ho site, Ho(3) is bonded in a 16-coordinate geometry to one Tm(1), three equivalent Ho(2), one Mn(6), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(2), and four equivalent Mn(3) atoms. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Tm(1), three equivalent Ho(1), one Mn(4), one Mn(6), two equivalent Mn(3), and two equivalent Mn(5) atoms to form MnHo3Tm3Mn6 cuboctahedra that share corners with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with six equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with two equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with three equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with six equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with six equivalent Mn(5)Ho5TmMn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Ho(2), three equivalent Ho(3), one Mn(4), one Mn(6), two equivalent Mn(3), and two equivalent Mn(5) atoms to form MnHo6Mn6 cuboctahedra that share corners with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with six equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with six equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with six equivalent Mn(5)Ho5TmMn6 cuboctahedra. In the third Mn site, Mn(3) is bonded to two equivalent Tm(1), one Ho(1), one Ho(2), two equivalent Ho(3), one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms to form MnHo4Tm2Mn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with six equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with two equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, edges with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, faces with two equivalent Mn(5)Ho5TmMn6 cuboctahedra, faces with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent Tm(1), one Ho(1), one Ho(2), two equivalent Ho(3), one Mn(1), one Mn(2), and four equivalent Mn(3) atoms to form MnHo4Tm2Mn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with eight equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, edges with four equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, and faces with eight equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra. In the fifth Mn site, Mn(5) is bonded to one Tm(1), one Ho(3), two equivalent Ho(1), two equivalent Ho(2), one Mn(1), one Mn(2), two equivalent Mn(5), and two equivalent Mn(6) atoms to form MnHo5TmMn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, corners with six equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, edges with two equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, faces with two equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, faces with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, and faces with four equivalent Mn(6)Ho5TmMn6 cuboctahedra. In the sixth Mn site, Mn(6) is bonded to one Tm(1), one Ho(3), two equivalent Ho(1), two equivalent Ho(2), one Mn(1), one Mn(2), and four equivalent Mn(5) atoms to form MnHo5TmMn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with eight equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, edges with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, edges with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with eight equivalent Mn(5)Ho5TmMn6 cuboctahedra.
TmHo3Mn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. Tm(1) is bonded in a 16-coordinate geometry to one Ho(3), three equivalent Ho(1), one Mn(6), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), and four equivalent Mn(3) atoms. The Tm(1)-Ho(3) bond length is 3.15 Å. There is one shorter (3.07 Å) and two longer (3.23 Å) Tm(1)-Ho(1) bond lengths. The Tm(1)-Mn(6) bond length is 3.02 Å. Both Tm(1)-Mn(4) bond lengths are 3.08 Å. Both Tm(1)-Mn(5) bond lengths are 3.03 Å. There is one shorter (2.98 Å) and two longer (3.08 Å) Tm(1)-Mn(1) bond lengths. There are two shorter (2.91 Å) and two longer (3.16 Å) Tm(1)-Mn(3) bond lengths. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 16-coordinate geometry to three equivalent Tm(1), one Ho(2), one Mn(4), two equivalent Mn(3), two equivalent Mn(6), three equivalent Mn(1), and four equivalent Mn(5) atoms. The Ho(1)-Ho(2) bond length is 3.16 Å. The Ho(1)-Mn(4) bond length is 3.01 Å. Both Ho(1)-Mn(3) bond lengths are 3.03 Å. Both Ho(1)-Mn(6) bond lengths are 3.08 Å. There is one shorter (2.98 Å) and two longer (3.08 Å) Ho(1)-Mn(1) bond lengths. There are two shorter (2.92 Å) and two longer (3.16 Å) Ho(1)-Mn(5) bond lengths. In the second Ho site, Ho(2) is bonded in a 16-coordinate geometry to one Ho(1), three equivalent Ho(3), one Mn(4), two equivalent Mn(3), two equivalent Mn(6), three equivalent Mn(2), and four equivalent Mn(5) atoms. There is one shorter (3.17 Å) and two longer (3.20 Å) Ho(2)-Ho(3) bond lengths. The Ho(2)-Mn(4) bond length is 2.96 Å. Both Ho(2)-Mn(3) bond lengths are 3.06 Å. Both Ho(2)-Mn(6) bond lengths are 3.13 Å. There is one shorter (2.94 Å) and two longer (3.11 Å) Ho(2)-Mn(2) bond lengths. There are two shorter (2.93 Å) and two longer (3.04 Å) Ho(2)-Mn(5) bond lengths. In the third Ho site, Ho(3) is bonded in a 16-coordinate geometry to one Tm(1), three equivalent Ho(2), one Mn(6), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(2), and four equivalent Mn(3) atoms. The Ho(3)-Mn(6) bond length is 2.96 Å. Both Ho(3)-Mn(4) bond lengths are 3.12 Å. Both Ho(3)-Mn(5) bond lengths are 3.06 Å. There is one shorter (2.94 Å) and two longer (3.11 Å) Ho(3)-Mn(2) bond lengths. There are two shorter (2.93 Å) and two longer (3.04 Å) Ho(3)-Mn(3) bond lengths. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Tm(1), three equivalent Ho(1), one Mn(4), one Mn(6), two equivalent Mn(3), and two equivalent Mn(5) atoms to form MnHo3Tm3Mn6 cuboctahedra that share corners with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with six equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with two equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with three equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with six equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with six equivalent Mn(5)Ho5TmMn6 cuboctahedra. The Mn(1)-Mn(4) bond length is 2.44 Å. The Mn(1)-Mn(6) bond length is 2.44 Å. Both Mn(1)-Mn(3) bond lengths are 2.65 Å. Both Mn(1)-Mn(5) bond lengths are 2.66 Å. In the second Mn site, Mn(2) is bonded to three equivalent Ho(2), three equivalent Ho(3), one Mn(4), one Mn(6), two equivalent Mn(3), and two equivalent Mn(5) atoms to form MnHo6Mn6 cuboctahedra that share corners with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with six equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with six equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with six equivalent Mn(5)Ho5TmMn6 cuboctahedra. The Mn(2)-Mn(4) bond length is 2.69 Å. The Mn(2)-Mn(6) bond length is 2.69 Å. Both Mn(2)-Mn(3) bond lengths are 2.51 Å. Both Mn(2)-Mn(5) bond lengths are 2.50 Å. In the third Mn site, Mn(3) is bonded to two equivalent Tm(1), one Ho(1), one Ho(2), two equivalent Ho(3), one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms to form MnHo4Tm2Mn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with six equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with two equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, edges with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, faces with two equivalent Mn(5)Ho5TmMn6 cuboctahedra, faces with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra. There is one shorter (2.60 Å) and one longer (2.75 Å) Mn(3)-Mn(3) bond length. There is one shorter (2.56 Å) and one longer (2.58 Å) Mn(3)-Mn(4) bond length. In the fourth Mn site, Mn(4) is bonded to two equivalent Tm(1), one Ho(1), one Ho(2), two equivalent Ho(3), one Mn(1), one Mn(2), and four equivalent Mn(3) atoms to form MnHo4Tm2Mn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with eight equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, edges with four equivalent Mn(6)Ho5TmMn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, and faces with eight equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra. In the fifth Mn site, Mn(5) is bonded to one Tm(1), one Ho(3), two equivalent Ho(1), two equivalent Ho(2), one Mn(1), one Mn(2), two equivalent Mn(5), and two equivalent Mn(6) atoms to form MnHo5TmMn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, corners with six equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, edges with two equivalent Mn(5)Ho5TmMn6 cuboctahedra, edges with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, faces with two equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, faces with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(5)Ho5TmMn6 cuboctahedra, and faces with four equivalent Mn(6)Ho5TmMn6 cuboctahedra. There is one shorter (2.61 Å) and one longer (2.74 Å) Mn(5)-Mn(5) bond length. There is one shorter (2.56 Å) and one longer (2.58 Å) Mn(5)-Mn(6) bond length. In the sixth Mn site, Mn(6) is bonded to one Tm(1), one Ho(3), two equivalent Ho(1), two equivalent Ho(2), one Mn(1), one Mn(2), and four equivalent Mn(5) atoms to form MnHo5TmMn6 cuboctahedra that share corners with two equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, corners with two equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, corners with two equivalent Mn(2)Ho6Mn6 cuboctahedra, corners with four equivalent Mn(6)Ho5TmMn6 cuboctahedra, corners with eight equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, edges with two equivalent Mn(6)Ho5TmMn6 cuboctahedra, edges with four equivalent Mn(4)Ho4Tm2Mn6 cuboctahedra, faces with three equivalent Mn(1)Ho3Tm3Mn6 cuboctahedra, faces with three equivalent Mn(2)Ho6Mn6 cuboctahedra, faces with four equivalent Mn(3)Ho4Tm2Mn6 cuboctahedra, and faces with eight equivalent Mn(5)Ho5TmMn6 cuboctahedra.