The compound described by Dy3Sc2S7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with two equivalent Sc(1)S6 octahedra and edges with two equivalent Dy(1)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms. Sc(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form ScS6 octahedra that share  a cornercorner with one Dy(1)S6 octahedra, corners with two equivalent Sc(1)S6 octahedra, and edges with five equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. In the second S site, S(2) is bonded to two equivalent Dy(1) and three equivalent Dy(2) atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent S(3)Dy3Sc tetrahedra, corners with two equivalent S(2)Dy5 trigonal bipyramids, corners with four equivalent S(4)Dy2Sc3 trigonal bipyramids, edges with three equivalent S(3)Dy3Sc tetrahedra,  an edgeedge with one S(4)Dy2Sc3 trigonal bipyramid, and edges with five equivalent S(2)Dy5 trigonal bipyramids. In the third S site, S(3) is bonded to one Dy(1), two equivalent Dy(2), and one Sc(1) atom to form distorted SDy3Sc tetrahedra that share corners with three equivalent S(3)Dy3Sc tetrahedra, corners with four equivalent S(2)Dy5 trigonal bipyramids, corners with five equivalent S(4)Dy2Sc3 trigonal bipyramids,  an edgeedge with one S(4)Dy2Sc3 trigonal bipyramid, and edges with three equivalent S(2)Dy5 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Dy(2) and three equivalent Sc(1) atoms to form SDy2Sc3 trigonal bipyramids that share corners with five equivalent S(3)Dy3Sc tetrahedra, corners with four equivalent S(2)Dy5 trigonal bipyramids,  an edgeedge with one S(3)Dy3Sc tetrahedra,  an edgeedge with one S(2)Dy5 trigonal bipyramid, and edges with four equivalent S(4)Dy2Sc3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Dy3Sc2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   11.360
_cell_angle_alpha   75.485
_cell_angle_beta   75.485
_cell_angle_gamma   33.447
_symmetry_Int_Tables_number   1
_cell_volume   254.049
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Dy  Dy0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.304  0.304  0.799  1.0
  Dy  Dy2  1  0.696  0.696  0.201  1.0
  Sc  Sc3  1  0.111  0.111  0.571  1.0
  Sc  Sc4  1  0.889  0.889  0.429  1.0
  S  S5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.662  0.662  0.946  1.0
  S  S7  1  0.338  0.338  0.054  1.0
  S  S8  1  0.967  0.967  0.777  1.0
  S  S9  1  0.033  0.033  0.223  1.0
  S  S10  1  0.264  0.264  0.362  1.0
  S  S11  1  0.736  0.736  0.638  1.0
[/CIF]
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The compound described by Dy3Sc2S7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with two equivalent Sc(1)S6 octahedra and edges with two equivalent Dy(1)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms. Sc(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form ScS6 octahedra that share  a cornercorner with one Dy(1)S6 octahedra, corners with two equivalent Sc(1)S6 octahedra, and edges with five equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. In the second S site, S(2) is bonded to two equivalent Dy(1) and three equivalent Dy(2) atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent S(3)Dy3Sc tetrahedra, corners with two equivalent S(2)Dy5 trigonal bipyramids, corners with four equivalent S(4)Dy2Sc3 trigonal bipyramids, edges with three equivalent S(3)Dy3Sc tetrahedra,  an edgeedge with one S(4)Dy2Sc3 trigonal bipyramid, and edges with five equivalent S(2)Dy5 trigonal bipyramids. In the third S site, S(3) is bonded to one Dy(1), two equivalent Dy(2), and one Sc(1) atom to form distorted SDy3Sc tetrahedra that share corners with three equivalent S(3)Dy3Sc tetrahedra, corners with four equivalent S(2)Dy5 trigonal bipyramids, corners with five equivalent S(4)Dy2Sc3 trigonal bipyramids,  an edgeedge with one S(4)Dy2Sc3 trigonal bipyramid, and edges with three equivalent S(2)Dy5 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Dy(2) and three equivalent Sc(1) atoms to form SDy2Sc3 trigonal bipyramids that share corners with five equivalent S(3)Dy3Sc tetrahedra, corners with four equivalent S(2)Dy5 trigonal bipyramids,  an edgeedge with one S(3)Dy3Sc tetrahedra,  an edgeedge with one S(2)Dy5 trigonal bipyramid, and edges with four equivalent S(4)Dy2Sc3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Dy3Sc2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   11.360
_cell_angle_alpha   75.485
_cell_angle_beta   75.485
_cell_angle_gamma   33.447
_symmetry_Int_Tables_number   1
_cell_volume   254.049
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Dy  Dy0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.304  0.304  0.799  1.0
  Dy  Dy2  1  0.696  0.696  0.201  1.0
  Sc  Sc3  1  0.111  0.111  0.571  1.0
  Sc  Sc4  1  0.889  0.889  0.429  1.0
  S  S5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.662  0.662  0.946  1.0
  S  S7  1  0.338  0.338  0.054  1.0
  S  S8  1  0.967  0.967  0.777  1.0
  S  S9  1  0.033  0.033  0.223  1.0
  S  S10  1  0.264  0.264  0.362  1.0
  S  S11  1  0.736  0.736  0.638  1.0
[/CIF]
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