The compound described by MgDy4S7 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form MgS6 octahedra that share  a cornercorner with one Dy(3)S6 octahedra, corners with two equivalent Dy(4)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, and edges with three equivalent Dy(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-55°. There are four inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(6) atoms. In the third Dy site, Dy(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form DyS6 octahedra that share  a cornercorner with one Mg(1)S6 octahedra,  a cornercorner with one Dy(4)S6 octahedra, and edges with two equivalent Dy(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth Dy site, Dy(4) is bonded to one S(2), one S(6), two equivalent S(1), and two equivalent S(7) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(3)S6 octahedra, corners with two equivalent Mg(1)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra, and edges with three equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Dy(2), and two equivalent Dy(4) atoms to form SDy4Mg trigonal bipyramids that share  a cornercorner with one S(5)Dy3Mg tetrahedra, corners with four equivalent S(6)Dy4 tetrahedra, corners with two equivalent S(3)Dy5 trigonal bipyramids, corners with two equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(6)Dy4 tetrahedra,  an edgeedge with one S(4)Dy5 trigonal bipyramid, edges with two equivalent S(2)Dy3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Dy4Mg trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Mg(1), one Dy(4), and two equivalent Dy(1) atoms to form SDy3Mg2 trigonal bipyramids that share  a cornercorner with one S(6)Dy4 tetrahedra, corners with four equivalent S(5)Dy3Mg tetrahedra, corners with two equivalent S(3)Dy5 trigonal bipyramids, corners with two equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(5)Dy3Mg tetrahedra,  an edgeedge with one S(3)Dy5 trigonal bipyramid, edges with two equivalent S(2)Dy3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Dy4Mg trigonal bipyramids. In the third S site, S(3) is bonded to one Dy(2), two equivalent Dy(1), and two equivalent Dy(3) atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent S(5)Dy3Mg tetrahedra, corners with two equivalent S(2)Dy3Mg2 trigonal bipyramids, corners with two equivalent S(1)Dy4Mg trigonal bipyramids, corners with two equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(5)Dy3Mg tetrahedra, edges with two equivalent S(6)Dy4 tetrahedra,  an edgeedge with one S(2)Dy3Mg2 trigonal bipyramid, edges with two equivalent S(3)Dy5 trigonal bipyramids, and edges with three equivalent S(4)Dy5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Dy(1), two equivalent Dy(2), and two equivalent Dy(3) atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent S(6)Dy4 tetrahedra, corners with two equivalent S(2)Dy3Mg2 trigonal bipyramids, corners with two equivalent S(1)Dy4Mg trigonal bipyramids, corners with two equivalent S(3)Dy5 trigonal bipyramids,  an edgeedge with one S(6)Dy4 tetrahedra, edges with two equivalent S(5)Dy3Mg tetrahedra,  an edgeedge with one S(1)Dy4Mg trigonal bipyramid, edges with two equivalent S(4)Dy5 trigonal bipyramids, and edges with three equivalent S(3)Dy5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Dy(3), and two equivalent Dy(1) atoms to form SDy3Mg tetrahedra that share  a cornercorner with one S(6)Dy4 tetrahedra, corners with two equivalent S(5)Dy3Mg tetrahedra,  a cornercorner with one S(1)Dy4Mg trigonal bipyramid, corners with four equivalent S(2)Dy3Mg2 trigonal bipyramids, corners with four equivalent S(3)Dy5 trigonal bipyramids,  an edgeedge with one S(2)Dy3Mg2 trigonal bipyramid,  an edgeedge with one S(3)Dy5 trigonal bipyramid, and edges with two equivalent S(4)Dy5 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Dy(3), one Dy(4), and two equivalent Dy(2) atoms to form SDy4 tetrahedra that share  a cornercorner with one S(5)Dy3Mg tetrahedra, corners with two equivalent S(6)Dy4 tetrahedra,  a cornercorner with one S(2)Dy3Mg2 trigonal bipyramid, corners with four equivalent S(1)Dy4Mg trigonal bipyramids, corners with four equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(1)Dy4Mg trigonal bipyramid,  an edgeedge with one S(4)Dy5 trigonal bipyramid, and edges with two equivalent S(3)Dy5 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Dy(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy4MgS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.562
_cell_length_b   6.562
_cell_length_c   11.455
_cell_angle_alpha   75.558
_cell_angle_beta   75.558
_cell_angle_gamma   33.597
_symmetry_Int_Tables_number   1
_cell_volume   263.548
_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  0.693  0.693  0.205  1.0
  Dy  Dy1  1  0.307  0.307  0.801  1.0
  Dy  Dy2  1  1.000  1.000  0.006  1.0
  Dy  Dy3  1  0.113  0.113  0.568  1.0
  Mg  Mg4  1  0.885  0.885  0.422  1.0
  S  S5  1  0.743  0.743  0.640  1.0
  S  S6  1  0.267  0.267  0.353  1.0
  S  S7  1  0.339  0.339  0.051  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.036  0.036  0.224  1.0
  S  S10  1  0.962  0.962  0.785  1.0
  S  S11  1  0.495  0.495  0.497  1.0
[/CIF]
.
The compound described by MgDy4S7 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form MgS6 octahedra that share  a cornercorner with one Dy(3)S6 octahedra, corners with two equivalent Dy(4)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, and edges with three equivalent Dy(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-55°. There are four inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(6) atoms. In the third Dy site, Dy(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form DyS6 octahedra that share  a cornercorner with one Mg(1)S6 octahedra,  a cornercorner with one Dy(4)S6 octahedra, and edges with two equivalent Dy(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth Dy site, Dy(4) is bonded to one S(2), one S(6), two equivalent S(1), and two equivalent S(7) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(3)S6 octahedra, corners with two equivalent Mg(1)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra, and edges with three equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Dy(2), and two equivalent Dy(4) atoms to form SDy4Mg trigonal bipyramids that share  a cornercorner with one S(5)Dy3Mg tetrahedra, corners with four equivalent S(6)Dy4 tetrahedra, corners with two equivalent S(3)Dy5 trigonal bipyramids, corners with two equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(6)Dy4 tetrahedra,  an edgeedge with one S(4)Dy5 trigonal bipyramid, edges with two equivalent S(2)Dy3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Dy4Mg trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Mg(1), one Dy(4), and two equivalent Dy(1) atoms to form SDy3Mg2 trigonal bipyramids that share  a cornercorner with one S(6)Dy4 tetrahedra, corners with four equivalent S(5)Dy3Mg tetrahedra, corners with two equivalent S(3)Dy5 trigonal bipyramids, corners with two equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(5)Dy3Mg tetrahedra,  an edgeedge with one S(3)Dy5 trigonal bipyramid, edges with two equivalent S(2)Dy3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Dy4Mg trigonal bipyramids. In the third S site, S(3) is bonded to one Dy(2), two equivalent Dy(1), and two equivalent Dy(3) atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent S(5)Dy3Mg tetrahedra, corners with two equivalent S(2)Dy3Mg2 trigonal bipyramids, corners with two equivalent S(1)Dy4Mg trigonal bipyramids, corners with two equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(5)Dy3Mg tetrahedra, edges with two equivalent S(6)Dy4 tetrahedra,  an edgeedge with one S(2)Dy3Mg2 trigonal bipyramid, edges with two equivalent S(3)Dy5 trigonal bipyramids, and edges with three equivalent S(4)Dy5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Dy(1), two equivalent Dy(2), and two equivalent Dy(3) atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent S(6)Dy4 tetrahedra, corners with two equivalent S(2)Dy3Mg2 trigonal bipyramids, corners with two equivalent S(1)Dy4Mg trigonal bipyramids, corners with two equivalent S(3)Dy5 trigonal bipyramids,  an edgeedge with one S(6)Dy4 tetrahedra, edges with two equivalent S(5)Dy3Mg tetrahedra,  an edgeedge with one S(1)Dy4Mg trigonal bipyramid, edges with two equivalent S(4)Dy5 trigonal bipyramids, and edges with three equivalent S(3)Dy5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Dy(3), and two equivalent Dy(1) atoms to form SDy3Mg tetrahedra that share  a cornercorner with one S(6)Dy4 tetrahedra, corners with two equivalent S(5)Dy3Mg tetrahedra,  a cornercorner with one S(1)Dy4Mg trigonal bipyramid, corners with four equivalent S(2)Dy3Mg2 trigonal bipyramids, corners with four equivalent S(3)Dy5 trigonal bipyramids,  an edgeedge with one S(2)Dy3Mg2 trigonal bipyramid,  an edgeedge with one S(3)Dy5 trigonal bipyramid, and edges with two equivalent S(4)Dy5 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Dy(3), one Dy(4), and two equivalent Dy(2) atoms to form SDy4 tetrahedra that share  a cornercorner with one S(5)Dy3Mg tetrahedra, corners with two equivalent S(6)Dy4 tetrahedra,  a cornercorner with one S(2)Dy3Mg2 trigonal bipyramid, corners with four equivalent S(1)Dy4Mg trigonal bipyramids, corners with four equivalent S(4)Dy5 trigonal bipyramids,  an edgeedge with one S(1)Dy4Mg trigonal bipyramid,  an edgeedge with one S(4)Dy5 trigonal bipyramid, and edges with two equivalent S(3)Dy5 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Dy(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy4MgS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.562
_cell_length_b   6.562
_cell_length_c   11.455
_cell_angle_alpha   75.558
_cell_angle_beta   75.558
_cell_angle_gamma   33.597
_symmetry_Int_Tables_number   1
_cell_volume   263.548
_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  0.693  0.693  0.205  1.0
  Dy  Dy1  1  0.307  0.307  0.801  1.0
  Dy  Dy2  1  1.000  1.000  0.006  1.0
  Dy  Dy3  1  0.113  0.113  0.568  1.0
  Mg  Mg4  1  0.885  0.885  0.422  1.0
  S  S5  1  0.743  0.743  0.640  1.0
  S  S6  1  0.267  0.267  0.353  1.0
  S  S7  1  0.339  0.339  0.051  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.036  0.036  0.224  1.0
  S  S10  1  0.962  0.962  0.785  1.0
  S  S11  1  0.495  0.495  0.497  1.0
[/CIF]
.