The material structure described by ZnMgS2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with eight equivalent Mg(1)S4 tetrahedra. S(1) is bonded to two equivalent Mg(1) and two equivalent Zn(1) atoms to form corner-sharing SMg2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.900
_cell_length_b   3.900
_cell_length_c   5.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.161
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.000  0.500  0.238  1.0
  S  S3  1  0.500  0.000  0.762  1.0
[/CIF]
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The material structure described by ZnMgS2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with eight equivalent Mg(1)S4 tetrahedra. S(1) is bonded to two equivalent Mg(1) and two equivalent Zn(1) atoms to form corner-sharing SMg2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.900
_cell_length_b   3.900
_cell_length_c   5.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.161
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.000  0.500  0.238  1.0
  S  S3  1  0.500  0.000  0.762  1.0
[/CIF]
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