The structure described by Dy2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with four equivalent Dy(2)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Dy site, Dy(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form DyS6 octahedra that share corners with four equivalent Dy(1)S6 octahedra, corners with four equivalent Dy(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. Zn(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form ZnS4 tetrahedra that share corners with two equivalent Dy(1)S6 octahedra, corners with four equivalent Dy(2)S6 octahedra,  an edgeedge with one Dy(2)S6 octahedra, and edges with two equivalent Dy(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Dy(2), two equivalent Dy(1), and one Zn(1) atom to form distorted corner-sharing SDy3Zn trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Dy(2), two equivalent Dy(1), and one Zn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Dy(1), two equivalent Dy(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   7.872
_cell_length_c   13.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   668.709
_cell_formula_units_Z   4
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  0.500  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.500  1.0
  Dy  Dy2  1  0.000  0.000  0.000  1.0
  Dy  Dy3  1  0.500  0.500  0.500  1.0
  Dy  Dy4  1  0.994  0.750  0.266  1.0
  Dy  Dy5  1  0.506  0.750  0.766  1.0
  Dy  Dy6  1  0.006  0.250  0.734  1.0
  Dy  Dy7  1  0.494  0.250  0.234  1.0
  Zn  Zn8  1  0.411  0.750  0.092  1.0
  Zn  Zn9  1  0.089  0.750  0.592  1.0
  Zn  Zn10  1  0.589  0.250  0.908  1.0
  Zn  Zn11  1  0.911  0.250  0.408  1.0
  S  S12  1  0.773  0.750  0.090  1.0
  S  S13  1  0.727  0.750  0.590  1.0
  S  S14  1  0.227  0.250  0.910  1.0
  S  S15  1  0.273  0.250  0.410  1.0
  S  S16  1  0.242  0.750  0.431  1.0
  S  S17  1  0.258  0.750  0.931  1.0
  S  S18  1  0.758  0.250  0.569  1.0
  S  S19  1  0.742  0.250  0.069  1.0
  S  S20  1  0.745  0.485  0.332  1.0
  S  S21  1  0.755  0.015  0.832  1.0
  S  S22  1  0.255  0.985  0.668  1.0
  S  S23  1  0.245  0.515  0.168  1.0
  S  S24  1  0.255  0.515  0.668  1.0
  S  S25  1  0.245  0.985  0.168  1.0
  S  S26  1  0.745  0.015  0.332  1.0
  S  S27  1  0.755  0.485  0.832  1.0
[/CIF]
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The structure described by Dy2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with four equivalent Dy(2)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Dy site, Dy(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form DyS6 octahedra that share corners with four equivalent Dy(1)S6 octahedra, corners with four equivalent Dy(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. Zn(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form ZnS4 tetrahedra that share corners with two equivalent Dy(1)S6 octahedra, corners with four equivalent Dy(2)S6 octahedra,  an edgeedge with one Dy(2)S6 octahedra, and edges with two equivalent Dy(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Dy(2), two equivalent Dy(1), and one Zn(1) atom to form distorted corner-sharing SDy3Zn trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Dy(2), two equivalent Dy(1), and one Zn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Dy(1), two equivalent Dy(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   7.872
_cell_length_c   13.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   668.709
_cell_formula_units_Z   4
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  0.500  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.500  1.0
  Dy  Dy2  1  0.000  0.000  0.000  1.0
  Dy  Dy3  1  0.500  0.500  0.500  1.0
  Dy  Dy4  1  0.994  0.750  0.266  1.0
  Dy  Dy5  1  0.506  0.750  0.766  1.0
  Dy  Dy6  1  0.006  0.250  0.734  1.0
  Dy  Dy7  1  0.494  0.250  0.234  1.0
  Zn  Zn8  1  0.411  0.750  0.092  1.0
  Zn  Zn9  1  0.089  0.750  0.592  1.0
  Zn  Zn10  1  0.589  0.250  0.908  1.0
  Zn  Zn11  1  0.911  0.250  0.408  1.0
  S  S12  1  0.773  0.750  0.090  1.0
  S  S13  1  0.727  0.750  0.590  1.0
  S  S14  1  0.227  0.250  0.910  1.0
  S  S15  1  0.273  0.250  0.410  1.0
  S  S16  1  0.242  0.750  0.431  1.0
  S  S17  1  0.258  0.750  0.931  1.0
  S  S18  1  0.758  0.250  0.569  1.0
  S  S19  1  0.742  0.250  0.069  1.0
  S  S20  1  0.745  0.485  0.332  1.0
  S  S21  1  0.755  0.015  0.832  1.0
  S  S22  1  0.255  0.985  0.668  1.0
  S  S23  1  0.245  0.515  0.168  1.0
  S  S24  1  0.255  0.515  0.668  1.0
  S  S25  1  0.245  0.985  0.168  1.0
  S  S26  1  0.745  0.015  0.332  1.0
  S  S27  1  0.755  0.485  0.832  1.0
[/CIF]
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