The crystal structure described by Y2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form YS6 octahedra that share corners with four equivalent Y(2)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, edges with two equivalent Y(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Y site, Y(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form YS6 octahedra that share corners with four equivalent Y(1)S6 octahedra, corners with four equivalent Y(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. 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 Y(1)S6 octahedra, corners with four equivalent Y(2)S6 octahedra,  an edgeedge with one Y(2)S6 octahedra, and edges with two equivalent Y(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 Y(2), two equivalent Y(1), and one Zn(1) atom to form distorted corner-sharing SY3Zn trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Zn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.304
_cell_length_b   7.888
_cell_length_c   13.523
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.479
_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
  Y  Y0  1  0.000  0.500  0.000  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.500  0.500  0.500  1.0
  Y  Y4  1  0.005  0.750  0.266  1.0
  Y  Y5  1  0.495  0.750  0.766  1.0
  Y  Y6  1  0.995  0.250  0.734  1.0
  Y  Y7  1  0.505  0.250  0.234  1.0
  Zn  Zn8  1  0.589  0.750  0.092  1.0
  Zn  Zn9  1  0.911  0.750  0.592  1.0
  Zn  Zn10  1  0.411  0.250  0.908  1.0
  Zn  Zn11  1  0.089  0.250  0.408  1.0
  S  S12  1  0.226  0.750  0.090  1.0
  S  S13  1  0.274  0.750  0.590  1.0
  S  S14  1  0.774  0.250  0.910  1.0
  S  S15  1  0.726  0.250  0.410  1.0
  S  S16  1  0.759  0.750  0.431  1.0
  S  S17  1  0.741  0.750  0.931  1.0
  S  S18  1  0.241  0.250  0.569  1.0
  S  S19  1  0.259  0.250  0.069  1.0
  S  S20  1  0.754  0.515  0.168  1.0
  S  S21  1  0.746  0.985  0.668  1.0
  S  S22  1  0.246  0.015  0.832  1.0
  S  S23  1  0.254  0.485  0.332  1.0
  S  S24  1  0.246  0.485  0.832  1.0
  S  S25  1  0.254  0.015  0.332  1.0
  S  S26  1  0.754  0.985  0.168  1.0
  S  S27  1  0.746  0.515  0.668  1.0
[/CIF]
.
The crystal structure described by Y2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form YS6 octahedra that share corners with four equivalent Y(2)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, edges with two equivalent Y(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Y site, Y(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form YS6 octahedra that share corners with four equivalent Y(1)S6 octahedra, corners with four equivalent Y(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. 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 Y(1)S6 octahedra, corners with four equivalent Y(2)S6 octahedra,  an edgeedge with one Y(2)S6 octahedra, and edges with two equivalent Y(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 Y(2), two equivalent Y(1), and one Zn(1) atom to form distorted corner-sharing SY3Zn trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Zn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.304
_cell_length_b   7.888
_cell_length_c   13.523
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.479
_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
  Y  Y0  1  0.000  0.500  0.000  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.500  0.500  0.500  1.0
  Y  Y4  1  0.005  0.750  0.266  1.0
  Y  Y5  1  0.495  0.750  0.766  1.0
  Y  Y6  1  0.995  0.250  0.734  1.0
  Y  Y7  1  0.505  0.250  0.234  1.0
  Zn  Zn8  1  0.589  0.750  0.092  1.0
  Zn  Zn9  1  0.911  0.750  0.592  1.0
  Zn  Zn10  1  0.411  0.250  0.908  1.0
  Zn  Zn11  1  0.089  0.250  0.408  1.0
  S  S12  1  0.226  0.750  0.090  1.0
  S  S13  1  0.274  0.750  0.590  1.0
  S  S14  1  0.774  0.250  0.910  1.0
  S  S15  1  0.726  0.250  0.410  1.0
  S  S16  1  0.759  0.750  0.431  1.0
  S  S17  1  0.741  0.750  0.931  1.0
  S  S18  1  0.241  0.250  0.569  1.0
  S  S19  1  0.259  0.250  0.069  1.0
  S  S20  1  0.754  0.515  0.168  1.0
  S  S21  1  0.746  0.985  0.668  1.0
  S  S22  1  0.246  0.015  0.832  1.0
  S  S23  1  0.254  0.485  0.332  1.0
  S  S24  1  0.246  0.485  0.832  1.0
  S  S25  1  0.254  0.015  0.332  1.0
  S  S26  1  0.754  0.985  0.168  1.0
  S  S27  1  0.746  0.515  0.668  1.0
[/CIF]
.