The material described by CuZn2InS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent In(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 Cu(1)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. S(1) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form corner-sharing SZn2InCu tetrahedra. is represented by the CIF card [CIF]
data_Zn2InCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.751
_cell_length_b   6.751
_cell_length_c   6.751
_cell_angle_alpha   131.837
_cell_angle_beta   131.837
_cell_angle_gamma   70.487
_symmetry_Int_Tables_number   1
_cell_volume   167.341
_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  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.364  0.364  0.472  1.0
  S  S5  1  0.107  0.636  0.000  1.0
  S  S6  1  0.893  0.893  0.528  1.0
  S  S7  1  0.636  0.107  0.000  1.0
[/CIF]
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The material described by CuZn2InS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent In(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 Cu(1)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. S(1) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form corner-sharing SZn2InCu tetrahedra. is represented by the CIF card [CIF]
data_Zn2InCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.751
_cell_length_b   6.751
_cell_length_c   6.751
_cell_angle_alpha   131.837
_cell_angle_beta   131.837
_cell_angle_gamma   70.487
_symmetry_Int_Tables_number   1
_cell_volume   167.341
_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  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.364  0.364  0.472  1.0
  S  S5  1  0.107  0.636  0.000  1.0
  S  S6  1  0.893  0.893  0.528  1.0
  S  S7  1  0.636  0.107  0.000  1.0
[/CIF]
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