Ho3Sc2S7 crystallizes in the monoclinic Cm space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Sc(1)S6 octahedra, corners with two equivalent Sc(2)S6 octahedra, corners with four equivalent Ho(3)S6 octahedra,  an edgeedge with one Ho(3)S6 octahedra, edges with three equivalent Sc(2)S6 octahedra, edges with two equivalent Ho(2)S7 pentagonal bipyramids, and faces with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 21-66°. In the second Ho site, Ho(2) is bonded to one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Ho(3)S6 octahedra, corners with two equivalent Sc(2)S6 octahedra, corners with four equivalent Sc(1)S6 octahedra,  an edgeedge with one Sc(1)S6 octahedra, edges with three equivalent Sc(2)S6 octahedra, edges with two equivalent Ho(1)S7 pentagonal bipyramids, and faces with two equivalent Ho(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-69°. In the third Ho site, Ho(3) is bonded to one S(1), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form HoS6 octahedra that share  a cornercorner with one Sc(2)S6 octahedra, corners with two equivalent Sc(1)S6 octahedra, corners with two equivalent Ho(2)S7 pentagonal bipyramids, corners with four equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Ho(3)S6 octahedra, edges with three equivalent Sc(1)S6 octahedra, and  an edgeedge with one Ho(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-51°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one S(2), one S(4), two equivalent S(3), and two equivalent S(7) atoms to form ScS6 octahedra that share  a cornercorner with one Sc(2)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, corners with four equivalent Ho(2)S7 pentagonal bipyramids, edges with two equivalent Sc(1)S6 octahedra, edges with three equivalent Ho(3)S6 octahedra, and  an edgeedge with one Ho(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-52°. In the second Sc site, Sc(2) is bonded to one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form ScS6 octahedra that share  a cornercorner with one Ho(3)S6 octahedra,  a cornercorner with one Sc(1)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, corners with two equivalent Ho(2)S7 pentagonal bipyramids, edges with two equivalent Sc(2)S6 octahedra, edges with three equivalent Ho(1)S7 pentagonal bipyramids, and edges with three equivalent Ho(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-52°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Ho(3), two equivalent Ho(1), and one Sc(2) atom to form distorted SHo3Sc tetrahedra that share  a cornercorner with one S(2)Ho2Sc2 tetrahedra, corners with two equivalent S(1)Ho3Sc tetrahedra,  a cornercorner with one S(3)Ho3Sc2 trigonal bipyramid, corners with four equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with four equivalent S(4)Ho4Sc trigonal bipyramids,  an edgeedge with one S(5)Ho3Sc2 trigonal bipyramid,  an edgeedge with one S(4)Ho4Sc trigonal bipyramid, and edges with two equivalent S(6)Ho3Sc2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Ho(2), one Sc(1), and one Sc(2) atom to form distorted SHo2Sc2 tetrahedra that share  a cornercorner with one S(1)Ho3Sc tetrahedra, corners with two equivalent S(2)Ho2Sc2 tetrahedra,  a cornercorner with one S(4)Ho4Sc trigonal bipyramid, corners with four equivalent S(3)Ho3Sc2 trigonal bipyramids, corners with four equivalent S(6)Ho3Sc2 trigonal bipyramids,  an edgeedge with one S(3)Ho3Sc2 trigonal bipyramid,  an edgeedge with one S(6)Ho3Sc2 trigonal bipyramid, and edges with two equivalent S(5)Ho3Sc2 trigonal bipyramids. In the third S site, S(3) is bonded to one Ho(3), two equivalent Ho(2), and two equivalent Sc(1) atoms to form SHo3Sc2 trigonal bipyramids that share  a cornercorner with one S(1)Ho3Sc tetrahedra, corners with four equivalent S(2)Ho2Sc2 tetrahedra, corners with two equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(6)Ho3Sc2 trigonal bipyramids,  an edgeedge with one S(2)Ho2Sc2 tetrahedra,  an edgeedge with one S(6)Ho3Sc2 trigonal bipyramid, edges with two equivalent S(3)Ho3Sc2 trigonal bipyramids, and edges with two equivalent S(4)Ho4Sc trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Ho(1), two equivalent Ho(3), and one Sc(1) atom to form SHo4Sc trigonal bipyramids that share  a cornercorner with one S(2)Ho2Sc2 tetrahedra, corners with four equivalent S(1)Ho3Sc tetrahedra, corners with two equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(6)Ho3Sc2 trigonal bipyramids,  an edgeedge with one S(1)Ho3Sc tetrahedra,  an edgeedge with one S(5)Ho3Sc2 trigonal bipyramid, edges with two equivalent S(3)Ho3Sc2 trigonal bipyramids, and edges with two equivalent S(4)Ho4Sc trigonal bipyramids. In the fifth S site, S(5) is bonded to one Ho(2), two equivalent Ho(1), and two equivalent Sc(2) atoms to form distorted SHo3Sc2 trigonal bipyramids that share corners with four equivalent S(1)Ho3Sc tetrahedra, corners with two equivalent S(3)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(6)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(4)Ho4Sc trigonal bipyramids,  an edgeedge with one S(1)Ho3Sc tetrahedra, edges with two equivalent S(2)Ho2Sc2 tetrahedra,  an edgeedge with one S(4)Ho4Sc trigonal bipyramid, edges with two equivalent S(5)Ho3Sc2 trigonal bipyramids, and edges with three equivalent S(6)Ho3Sc2 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Sc(2) atoms to form distorted SHo3Sc2 trigonal bipyramids that share corners with four equivalent S(2)Ho2Sc2 tetrahedra, corners with two equivalent S(3)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(4)Ho4Sc trigonal bipyramids,  an edgeedge with one S(2)Ho2Sc2 tetrahedra, edges with two equivalent S(1)Ho3Sc tetrahedra,  an edgeedge with one S(3)Ho3Sc2 trigonal bipyramid, edges with two equivalent S(6)Ho3Sc2 trigonal bipyramids, and edges with three equivalent S(5)Ho3Sc2 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Ho(3) and two equivalent Sc(1) atoms.
Ho3Sc2S7 crystallizes in the monoclinic Cm space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Sc(1)S6 octahedra, corners with two equivalent Sc(2)S6 octahedra, corners with four equivalent Ho(3)S6 octahedra,  an edgeedge with one Ho(3)S6 octahedra, edges with three equivalent Sc(2)S6 octahedra, edges with two equivalent Ho(2)S7 pentagonal bipyramids, and faces with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 21-66°. The Ho(1)-S(6) bond length is 2.87 Å. Both Ho(1)-S(1) bond lengths are 2.71 Å. Both Ho(1)-S(4) bond lengths are 2.89 Å. Both Ho(1)-S(5) bond lengths are 2.79 Å. In the second Ho site, Ho(2) is bonded to one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Ho(3)S6 octahedra, corners with two equivalent Sc(2)S6 octahedra, corners with four equivalent Sc(1)S6 octahedra,  an edgeedge with one Sc(1)S6 octahedra, edges with three equivalent Sc(2)S6 octahedra, edges with two equivalent Ho(1)S7 pentagonal bipyramids, and faces with two equivalent Ho(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-69°. The Ho(2)-S(5) bond length is 2.90 Å. Both Ho(2)-S(2) bond lengths are 2.72 Å. Both Ho(2)-S(3) bond lengths are 2.88 Å. Both Ho(2)-S(6) bond lengths are 2.79 Å. In the third Ho site, Ho(3) is bonded to one S(1), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form HoS6 octahedra that share  a cornercorner with one Sc(2)S6 octahedra, corners with two equivalent Sc(1)S6 octahedra, corners with two equivalent Ho(2)S7 pentagonal bipyramids, corners with four equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Ho(3)S6 octahedra, edges with three equivalent Sc(1)S6 octahedra, and  an edgeedge with one Ho(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-51°. The Ho(3)-S(1) bond length is 2.66 Å. The Ho(3)-S(3) bond length is 2.75 Å. Both Ho(3)-S(4) bond lengths are 2.73 Å. Both Ho(3)-S(7) bond lengths are 2.64 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one S(2), one S(4), two equivalent S(3), and two equivalent S(7) atoms to form ScS6 octahedra that share  a cornercorner with one Sc(2)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, corners with four equivalent Ho(2)S7 pentagonal bipyramids, edges with two equivalent Sc(1)S6 octahedra, edges with three equivalent Ho(3)S6 octahedra, and  an edgeedge with one Ho(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-52°. The Sc(1)-S(2) bond length is 2.56 Å. The Sc(1)-S(4) bond length is 2.70 Å. Both Sc(1)-S(3) bond lengths are 2.64 Å. Both Sc(1)-S(7) bond lengths are 2.55 Å. In the second Sc site, Sc(2) is bonded to one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form ScS6 octahedra that share  a cornercorner with one Ho(3)S6 octahedra,  a cornercorner with one Sc(1)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, corners with two equivalent Ho(2)S7 pentagonal bipyramids, edges with two equivalent Sc(2)S6 octahedra, edges with three equivalent Ho(1)S7 pentagonal bipyramids, and edges with three equivalent Ho(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-52°. The Sc(2)-S(1) bond length is 2.55 Å. The Sc(2)-S(2) bond length is 2.54 Å. Both Sc(2)-S(5) bond lengths are 2.61 Å. Both Sc(2)-S(6) bond lengths are 2.62 Å. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Ho(3), two equivalent Ho(1), and one Sc(2) atom to form distorted SHo3Sc tetrahedra that share  a cornercorner with one S(2)Ho2Sc2 tetrahedra, corners with two equivalent S(1)Ho3Sc tetrahedra,  a cornercorner with one S(3)Ho3Sc2 trigonal bipyramid, corners with four equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with four equivalent S(4)Ho4Sc trigonal bipyramids,  an edgeedge with one S(5)Ho3Sc2 trigonal bipyramid,  an edgeedge with one S(4)Ho4Sc trigonal bipyramid, and edges with two equivalent S(6)Ho3Sc2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Ho(2), one Sc(1), and one Sc(2) atom to form distorted SHo2Sc2 tetrahedra that share  a cornercorner with one S(1)Ho3Sc tetrahedra, corners with two equivalent S(2)Ho2Sc2 tetrahedra,  a cornercorner with one S(4)Ho4Sc trigonal bipyramid, corners with four equivalent S(3)Ho3Sc2 trigonal bipyramids, corners with four equivalent S(6)Ho3Sc2 trigonal bipyramids,  an edgeedge with one S(3)Ho3Sc2 trigonal bipyramid,  an edgeedge with one S(6)Ho3Sc2 trigonal bipyramid, and edges with two equivalent S(5)Ho3Sc2 trigonal bipyramids. In the third S site, S(3) is bonded to one Ho(3), two equivalent Ho(2), and two equivalent Sc(1) atoms to form SHo3Sc2 trigonal bipyramids that share  a cornercorner with one S(1)Ho3Sc tetrahedra, corners with four equivalent S(2)Ho2Sc2 tetrahedra, corners with two equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(6)Ho3Sc2 trigonal bipyramids,  an edgeedge with one S(2)Ho2Sc2 tetrahedra,  an edgeedge with one S(6)Ho3Sc2 trigonal bipyramid, edges with two equivalent S(3)Ho3Sc2 trigonal bipyramids, and edges with two equivalent S(4)Ho4Sc trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Ho(1), two equivalent Ho(3), and one Sc(1) atom to form SHo4Sc trigonal bipyramids that share  a cornercorner with one S(2)Ho2Sc2 tetrahedra, corners with four equivalent S(1)Ho3Sc tetrahedra, corners with two equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(6)Ho3Sc2 trigonal bipyramids,  an edgeedge with one S(1)Ho3Sc tetrahedra,  an edgeedge with one S(5)Ho3Sc2 trigonal bipyramid, edges with two equivalent S(3)Ho3Sc2 trigonal bipyramids, and edges with two equivalent S(4)Ho4Sc trigonal bipyramids. In the fifth S site, S(5) is bonded to one Ho(2), two equivalent Ho(1), and two equivalent Sc(2) atoms to form distorted SHo3Sc2 trigonal bipyramids that share corners with four equivalent S(1)Ho3Sc tetrahedra, corners with two equivalent S(3)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(6)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(4)Ho4Sc trigonal bipyramids,  an edgeedge with one S(1)Ho3Sc tetrahedra, edges with two equivalent S(2)Ho2Sc2 tetrahedra,  an edgeedge with one S(4)Ho4Sc trigonal bipyramid, edges with two equivalent S(5)Ho3Sc2 trigonal bipyramids, and edges with three equivalent S(6)Ho3Sc2 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Sc(2) atoms to form distorted SHo3Sc2 trigonal bipyramids that share corners with four equivalent S(2)Ho2Sc2 tetrahedra, corners with two equivalent S(3)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(5)Ho3Sc2 trigonal bipyramids, corners with two equivalent S(4)Ho4Sc trigonal bipyramids,  an edgeedge with one S(2)Ho2Sc2 tetrahedra, edges with two equivalent S(1)Ho3Sc tetrahedra,  an edgeedge with one S(3)Ho3Sc2 trigonal bipyramid, edges with two equivalent S(6)Ho3Sc2 trigonal bipyramids, and edges with three equivalent S(5)Ho3Sc2 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Ho(3) and two equivalent Sc(1) atoms.