The structure described by ZnS is Zincblende, Sphalerite-like structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1,3,4,5,6,8,10) is bonded to four equivalent S(1,2,3,4,7,8,10) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2,7) is bonded to one S(5,6) and three equivalent S(1,2,3,4,7,8,10) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(9) is bonded to one S(9) and three equivalent S(5,6) atoms to form corner-sharing ZnS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1,2,3,4,7,8,10) is bonded to four equivalent Zn(1,3,4,5,6,8,10) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(5,6) is bonded to one Zn(2,7) and three equivalent Zn(1,3,4,5,6,8,10) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(9) is bonded to one Zn(9) and three equivalent Zn(2,7) 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   3.809
_cell_length_b   3.809
_cell_length_c   62.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   782.192
_cell_formula_units_Z   20
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  0.000  0.000  0.400  1.0
  Zn  Zn1  1  0.333  0.667  0.450  1.0
  Zn  Zn2  1  0.667  0.333  0.200  1.0
  Zn  Zn3  1  0.667  0.333  0.650  1.0
  Zn  Zn4  1  0.333  0.667  0.700  1.0
  Zn  Zn5  1  0.000  0.000  0.600  1.0
  Zn  Zn6  1  0.667  0.333  0.950  1.0
  Zn  Zn7  1  0.000  0.000  0.100  1.0
  Zn  Zn8  1  0.667  0.333  0.350  1.0
  Zn  Zn9  1  0.667  0.333  0.050  1.0
  Zn  Zn10  1  0.000  0.000  0.900  1.0
  Zn  Zn11  1  0.333  0.667  0.550  1.0
  Zn  Zn12  1  0.000  0.000  0.250  1.0
  Zn  Zn13  1  0.333  0.667  0.850  1.0
  Zn  Zn14  1  0.000  0.000  0.750  1.0
  Zn  Zn15  1  0.667  0.333  0.500  1.0
  Zn  Zn16  1  0.333  0.667  0.150  1.0
  Zn  Zn17  1  0.667  0.333  0.800  1.0
  Zn  Zn18  1  0.333  0.667  0.300  1.0
  Zn  Zn19  1  0.333  0.667  0.000  1.0
  S  S20  1  0.667  0.333  0.237  1.0
  S  S21  1  0.667  0.333  0.837  1.0
  S  S22  1  0.333  0.667  0.887  1.0
  S  S23  1  0.333  0.667  0.337  1.0
  S  S24  1  0.000  0.000  0.787  1.0
  S  S25  1  0.667  0.333  0.087  1.0
  S  S26  1  0.333  0.667  0.487  1.0
  S  S27  1  0.000  0.000  0.287  1.0
  S  S28  1  0.000  0.000  0.137  1.0
  S  S29  1  0.667  0.333  0.687  1.0
  S  S30  1  0.333  0.667  0.038  1.0
  S  S31  1  0.667  0.333  0.987  1.0
  S  S32  1  0.667  0.333  0.538  1.0
  S  S33  1  0.667  0.333  0.387  1.0
  S  S34  1  0.333  0.667  0.737  1.0
  S  S35  1  0.333  0.667  0.187  1.0
  S  S36  1  0.000  0.000  0.637  1.0
  S  S37  1  0.333  0.667  0.587  1.0
  S  S38  1  0.000  0.000  0.937  1.0
  S  S39  1  0.000  0.000  0.437  1.0
[/CIF]
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The structure described by ZnS is Zincblende, Sphalerite-like structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1,3,4,5,6,8,10) is bonded to four equivalent S(1,2,3,4,7,8,10) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2,7) is bonded to one S(5,6) and three equivalent S(1,2,3,4,7,8,10) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(9) is bonded to one S(9) and three equivalent S(5,6) atoms to form corner-sharing ZnS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1,2,3,4,7,8,10) is bonded to four equivalent Zn(1,3,4,5,6,8,10) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(5,6) is bonded to one Zn(2,7) and three equivalent Zn(1,3,4,5,6,8,10) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(9) is bonded to one Zn(9) and three equivalent Zn(2,7) 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   3.809
_cell_length_b   3.809
_cell_length_c   62.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   782.192
_cell_formula_units_Z   20
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  0.000  0.000  0.400  1.0
  Zn  Zn1  1  0.333  0.667  0.450  1.0
  Zn  Zn2  1  0.667  0.333  0.200  1.0
  Zn  Zn3  1  0.667  0.333  0.650  1.0
  Zn  Zn4  1  0.333  0.667  0.700  1.0
  Zn  Zn5  1  0.000  0.000  0.600  1.0
  Zn  Zn6  1  0.667  0.333  0.950  1.0
  Zn  Zn7  1  0.000  0.000  0.100  1.0
  Zn  Zn8  1  0.667  0.333  0.350  1.0
  Zn  Zn9  1  0.667  0.333  0.050  1.0
  Zn  Zn10  1  0.000  0.000  0.900  1.0
  Zn  Zn11  1  0.333  0.667  0.550  1.0
  Zn  Zn12  1  0.000  0.000  0.250  1.0
  Zn  Zn13  1  0.333  0.667  0.850  1.0
  Zn  Zn14  1  0.000  0.000  0.750  1.0
  Zn  Zn15  1  0.667  0.333  0.500  1.0
  Zn  Zn16  1  0.333  0.667  0.150  1.0
  Zn  Zn17  1  0.667  0.333  0.800  1.0
  Zn  Zn18  1  0.333  0.667  0.300  1.0
  Zn  Zn19  1  0.333  0.667  0.000  1.0
  S  S20  1  0.667  0.333  0.237  1.0
  S  S21  1  0.667  0.333  0.837  1.0
  S  S22  1  0.333  0.667  0.887  1.0
  S  S23  1  0.333  0.667  0.337  1.0
  S  S24  1  0.000  0.000  0.787  1.0
  S  S25  1  0.667  0.333  0.087  1.0
  S  S26  1  0.333  0.667  0.487  1.0
  S  S27  1  0.000  0.000  0.287  1.0
  S  S28  1  0.000  0.000  0.137  1.0
  S  S29  1  0.667  0.333  0.687  1.0
  S  S30  1  0.333  0.667  0.038  1.0
  S  S31  1  0.667  0.333  0.987  1.0
  S  S32  1  0.667  0.333  0.538  1.0
  S  S33  1  0.667  0.333  0.387  1.0
  S  S34  1  0.333  0.667  0.737  1.0
  S  S35  1  0.333  0.667  0.187  1.0
  S  S36  1  0.000  0.000  0.637  1.0
  S  S37  1  0.333  0.667  0.587  1.0
  S  S38  1  0.000  0.000  0.937  1.0
  S  S39  1  0.000  0.000  0.437  1.0
[/CIF]
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