The compound described by ZnS is Zincblende, Sphalerite-like structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1,2,3,4,7,8,9,10,12,13,14,15,16,18,20,22) is bonded to four equivalent S(2,3,5,7,8,9,10,11,12,13,14,15,16,18,19,22) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(5,6,11,21) is bonded to one S(1,4,6,17) and three equivalent S(2,3,5,7,8,9,10,11,12,13,14,15,16,18,19,22) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(17,19) is bonded to one S(20,21) and three equivalent S(1,4,6,17) atoms to form corner-sharing ZnS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(20,21) is bonded to one Zn(17,19) and three equivalent Zn(5,6,11,21) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(1,4,6,17) is bonded to one Zn(5,6,11,21) and three equivalent Zn(17,19) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(2,3,5,7,8,9,10,11,12,13,14,15,16,18,19,22) is bonded to four equivalent Zn(1,2,3,4,7,8,9,10,12,13,14,15,16,18,20,22) 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   68.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   860.018
_cell_formula_units_Z   22
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  0.364  1.0
  Zn  Zn1  1  0.000  0.000  0.636  1.0
  Zn  Zn2  1  0.333  0.667  0.864  1.0
  Zn  Zn3  1  0.667  0.333  0.318  1.0
  Zn  Zn4  1  0.667  0.333  0.955  1.0
  Zn  Zn5  1  0.667  0.333  0.045  1.0
  Zn  Zn6  1  0.333  0.667  0.545  1.0
  Zn  Zn7  1  0.333  0.667  0.273  1.0
  Zn  Zn8  1  0.333  0.667  0.136  1.0
  Zn  Zn9  1  0.000  0.000  0.909  1.0
  Zn  Zn10  1  0.667  0.333  0.727  1.0
  Zn  Zn11  1  0.667  0.333  0.591  1.0
  Zn  Zn12  1  0.667  0.333  0.182  1.0
  Zn  Zn13  1  0.333  0.667  0.682  1.0
  Zn  Zn14  1  0.000  0.000  0.091  1.0
  Zn  Zn15  1  0.333  0.667  0.409  1.0
  Zn  Zn16  1  0.000  0.000  0.773  1.0
  Zn  Zn17  1  0.667  0.333  0.455  1.0
  Zn  Zn18  1  0.333  0.667  1.000  1.0
  Zn  Zn19  1  0.000  0.000  0.227  1.0
  Zn  Zn20  1  0.667  0.333  0.818  1.0
  Zn  Zn21  1  0.000  0.000  0.500  1.0
  S  S22  1  0.667  0.333  0.761  1.0
  S  S23  1  0.333  0.667  0.898  1.0
  S  S24  1  0.333  0.667  0.307  1.0
  S  S25  1  0.667  0.333  0.080  1.0
  S  S26  1  0.000  0.000  0.534  1.0
  S  S27  1  0.667  0.333  0.852  1.0
  S  S28  1  0.667  0.333  0.489  1.0
  S  S29  1  0.000  0.000  0.943  1.0
  S  S30  1  0.000  0.000  0.261  1.0
  S  S31  1  0.000  0.000  0.125  1.0
  S  S32  1  0.333  0.667  0.170  1.0
  S  S33  1  0.000  0.000  0.670  1.0
  S  S34  1  0.000  0.000  0.398  1.0
  S  S35  1  0.667  0.333  0.352  1.0
  S  S36  1  0.333  0.667  0.580  1.0
  S  S37  1  0.667  0.333  0.216  1.0
  S  S38  1  0.667  0.333  0.989  1.0
  S  S39  1  0.333  0.667  0.443  1.0
  S  S40  1  0.333  0.667  0.716  1.0
  S  S41  1  0.333  0.667  0.034  1.0
  S  S42  1  0.000  0.000  0.807  1.0
  S  S43  1  0.667  0.333  0.625  1.0
[/CIF]
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The compound described by ZnS is Zincblende, Sphalerite-like structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1,2,3,4,7,8,9,10,12,13,14,15,16,18,20,22) is bonded to four equivalent S(2,3,5,7,8,9,10,11,12,13,14,15,16,18,19,22) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(5,6,11,21) is bonded to one S(1,4,6,17) and three equivalent S(2,3,5,7,8,9,10,11,12,13,14,15,16,18,19,22) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(17,19) is bonded to one S(20,21) and three equivalent S(1,4,6,17) atoms to form corner-sharing ZnS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(20,21) is bonded to one Zn(17,19) and three equivalent Zn(5,6,11,21) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(1,4,6,17) is bonded to one Zn(5,6,11,21) and three equivalent Zn(17,19) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(2,3,5,7,8,9,10,11,12,13,14,15,16,18,19,22) is bonded to four equivalent Zn(1,2,3,4,7,8,9,10,12,13,14,15,16,18,20,22) 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   68.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   860.018
_cell_formula_units_Z   22
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  0.364  1.0
  Zn  Zn1  1  0.000  0.000  0.636  1.0
  Zn  Zn2  1  0.333  0.667  0.864  1.0
  Zn  Zn3  1  0.667  0.333  0.318  1.0
  Zn  Zn4  1  0.667  0.333  0.955  1.0
  Zn  Zn5  1  0.667  0.333  0.045  1.0
  Zn  Zn6  1  0.333  0.667  0.545  1.0
  Zn  Zn7  1  0.333  0.667  0.273  1.0
  Zn  Zn8  1  0.333  0.667  0.136  1.0
  Zn  Zn9  1  0.000  0.000  0.909  1.0
  Zn  Zn10  1  0.667  0.333  0.727  1.0
  Zn  Zn11  1  0.667  0.333  0.591  1.0
  Zn  Zn12  1  0.667  0.333  0.182  1.0
  Zn  Zn13  1  0.333  0.667  0.682  1.0
  Zn  Zn14  1  0.000  0.000  0.091  1.0
  Zn  Zn15  1  0.333  0.667  0.409  1.0
  Zn  Zn16  1  0.000  0.000  0.773  1.0
  Zn  Zn17  1  0.667  0.333  0.455  1.0
  Zn  Zn18  1  0.333  0.667  1.000  1.0
  Zn  Zn19  1  0.000  0.000  0.227  1.0
  Zn  Zn20  1  0.667  0.333  0.818  1.0
  Zn  Zn21  1  0.000  0.000  0.500  1.0
  S  S22  1  0.667  0.333  0.761  1.0
  S  S23  1  0.333  0.667  0.898  1.0
  S  S24  1  0.333  0.667  0.307  1.0
  S  S25  1  0.667  0.333  0.080  1.0
  S  S26  1  0.000  0.000  0.534  1.0
  S  S27  1  0.667  0.333  0.852  1.0
  S  S28  1  0.667  0.333  0.489  1.0
  S  S29  1  0.000  0.000  0.943  1.0
  S  S30  1  0.000  0.000  0.261  1.0
  S  S31  1  0.000  0.000  0.125  1.0
  S  S32  1  0.333  0.667  0.170  1.0
  S  S33  1  0.000  0.000  0.670  1.0
  S  S34  1  0.000  0.000  0.398  1.0
  S  S35  1  0.667  0.333  0.352  1.0
  S  S36  1  0.333  0.667  0.580  1.0
  S  S37  1  0.667  0.333  0.216  1.0
  S  S38  1  0.667  0.333  0.989  1.0
  S  S39  1  0.333  0.667  0.443  1.0
  S  S40  1  0.333  0.667  0.716  1.0
  S  S41  1  0.333  0.667  0.034  1.0
  S  S42  1  0.000  0.000  0.807  1.0
  S  S43  1  0.667  0.333  0.625  1.0
[/CIF]
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