The material structure described by ZnS is Zincblende, Sphalerite-like structured and crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1) and three equivalent S(6) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2,3,5,6,7) is bonded to four equivalent S(3,4,5,7,8) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(4) is bonded to one S(6) and three equivalent S(3,4,5,7,8) atoms to form corner-sharing ZnS4 tetrahedra. In the fourth Zn site, Zn(8) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing ZnS4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Zn(1) and three equivalent Zn(8) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(2) is bonded to one Zn(8) and three equivalent Zn(2,3,5,6,7) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(3,4,5,7,8) is bonded to four equivalent Zn(2,3,5,6,7) atoms to form corner-sharing SZn4 tetrahedra. In the fourth S site, S(6) is bonded to one Zn(4) and three equivalent Zn(1) atoms to form corner-sharing SZn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.807
_cell_length_b   3.807
_cell_length_c   49.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   625.475
_cell_formula_units_Z   16
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
  Zn  Zn0  1  0.333  0.667  0.500  1.0
  Zn  Zn1  1  0.333  0.667  0.875  1.0
  Zn  Zn2  1  0.667  0.333  0.188  1.0
  Zn  Zn3  1  0.000  0.000  0.437  1.0
  Zn  Zn4  1  0.333  0.667  0.125  1.0
  Zn  Zn5  1  0.667  0.333  0.000  1.0
  Zn  Zn6  1  0.667  0.333  0.625  1.0
  Zn  Zn7  1  0.000  0.000  0.250  1.0
  Zn  Zn8  1  0.000  0.000  0.937  1.0
  Zn  Zn9  1  0.667  0.333  0.813  1.0
  Zn  Zn10  1  0.333  0.667  0.688  1.0
  Zn  Zn11  1  0.000  0.000  0.750  1.0
  Zn  Zn12  1  0.667  0.333  0.375  1.0
  Zn  Zn13  1  0.000  0.000  0.563  1.0
  Zn  Zn14  1  0.333  0.667  0.313  1.0
  Zn  Zn15  1  0.000  0.000  0.063  1.0
  S  S16  1  0.667  0.333  0.047  1.0
  S  S17  1  0.000  0.000  0.109  1.0
  S  S18  1  0.333  0.667  0.359  1.0
  S  S19  1  0.667  0.333  0.422  1.0
  S  S20  1  0.667  0.333  0.672  1.0
  S  S21  1  0.333  0.667  0.547  1.0
  S  S22  1  0.667  0.333  0.859  1.0
  S  S23  1  0.000  0.000  0.484  1.0
  S  S24  1  0.000  0.000  0.984  1.0
  S  S25  1  0.000  0.000  0.797  1.0
  S  S26  1  0.333  0.667  0.734  1.0
  S  S27  1  0.000  0.000  0.297  1.0
  S  S28  1  0.333  0.667  0.922  1.0
  S  S29  1  0.000  0.000  0.609  1.0
  S  S30  1  0.333  0.667  0.172  1.0
  S  S31  1  0.667  0.333  0.234  1.0
[/CIF]
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The material structure described by ZnS is Zincblende, Sphalerite-like structured and crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1) and three equivalent S(6) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2,3,5,6,7) is bonded to four equivalent S(3,4,5,7,8) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(4) is bonded to one S(6) and three equivalent S(3,4,5,7,8) atoms to form corner-sharing ZnS4 tetrahedra. In the fourth Zn site, Zn(8) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing ZnS4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Zn(1) and three equivalent Zn(8) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(2) is bonded to one Zn(8) and three equivalent Zn(2,3,5,6,7) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(3,4,5,7,8) is bonded to four equivalent Zn(2,3,5,6,7) atoms to form corner-sharing SZn4 tetrahedra. In the fourth S site, S(6) is bonded to one Zn(4) and three equivalent Zn(1) atoms to form corner-sharing SZn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.807
_cell_length_b   3.807
_cell_length_c   49.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   625.475
_cell_formula_units_Z   16
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
  Zn  Zn0  1  0.333  0.667  0.500  1.0
  Zn  Zn1  1  0.333  0.667  0.875  1.0
  Zn  Zn2  1  0.667  0.333  0.188  1.0
  Zn  Zn3  1  0.000  0.000  0.437  1.0
  Zn  Zn4  1  0.333  0.667  0.125  1.0
  Zn  Zn5  1  0.667  0.333  0.000  1.0
  Zn  Zn6  1  0.667  0.333  0.625  1.0
  Zn  Zn7  1  0.000  0.000  0.250  1.0
  Zn  Zn8  1  0.000  0.000  0.937  1.0
  Zn  Zn9  1  0.667  0.333  0.813  1.0
  Zn  Zn10  1  0.333  0.667  0.688  1.0
  Zn  Zn11  1  0.000  0.000  0.750  1.0
  Zn  Zn12  1  0.667  0.333  0.375  1.0
  Zn  Zn13  1  0.000  0.000  0.563  1.0
  Zn  Zn14  1  0.333  0.667  0.313  1.0
  Zn  Zn15  1  0.000  0.000  0.063  1.0
  S  S16  1  0.667  0.333  0.047  1.0
  S  S17  1  0.000  0.000  0.109  1.0
  S  S18  1  0.333  0.667  0.359  1.0
  S  S19  1  0.667  0.333  0.422  1.0
  S  S20  1  0.667  0.333  0.672  1.0
  S  S21  1  0.333  0.667  0.547  1.0
  S  S22  1  0.667  0.333  0.859  1.0
  S  S23  1  0.000  0.000  0.484  1.0
  S  S24  1  0.000  0.000  0.984  1.0
  S  S25  1  0.000  0.000  0.797  1.0
  S  S26  1  0.333  0.667  0.734  1.0
  S  S27  1  0.000  0.000  0.297  1.0
  S  S28  1  0.333  0.667  0.922  1.0
  S  S29  1  0.000  0.000  0.609  1.0
  S  S30  1  0.333  0.667  0.172  1.0
  S  S31  1  0.667  0.333  0.234  1.0
[/CIF]
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