The compound described by Zn2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. Zn(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form corner-sharing ZnSe2S2 tetrahedra. Se(1) is bonded to four equivalent Zn(1) atoms to form SeZn4 tetrahedra that share corners with four equivalent Se(1)Zn4 tetrahedra and corners with eight equivalent S(1)Zn4 tetrahedra. S(1) is bonded to four equivalent Zn(1) atoms to form SZn4 tetrahedra that share corners with four equivalent S(1)Zn4 tetrahedra and corners with eight equivalent Se(1)Zn4 tetrahedra. is represented by the CIF card [CIF]
data_Zn2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   3.909
_cell_length_c   5.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.392
_cell_formula_units_Z   1
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  0.500  0.000  0.763  1.0
  Zn  Zn1  1  0.000  0.500  0.237  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Zn2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. Zn(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form corner-sharing ZnSe2S2 tetrahedra. Se(1) is bonded to four equivalent Zn(1) atoms to form SeZn4 tetrahedra that share corners with four equivalent Se(1)Zn4 tetrahedra and corners with eight equivalent S(1)Zn4 tetrahedra. S(1) is bonded to four equivalent Zn(1) atoms to form SZn4 tetrahedra that share corners with four equivalent S(1)Zn4 tetrahedra and corners with eight equivalent Se(1)Zn4 tetrahedra. is represented by the CIF card [CIF]
data_Zn2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   3.909
_cell_length_c   5.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.392
_cell_formula_units_Z   1
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  0.500  0.000  0.763  1.0
  Zn  Zn1  1  0.000  0.500  0.237  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
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