The compound described by Cu2ZnIn2S5 is Stannite-like structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(5), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one In(1)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(3), one S(5), and two equivalent S(4) atoms to form CuS4 tetrahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. Zn(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form ZnS4 tetrahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one In(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(2), one S(4), and two equivalent S(3) atoms to form InS4 tetrahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one In(2)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Zn(1)S4 tetrahedra. In the second In site, In(2) is bonded to one S(1), one S(4), and two equivalent S(5) atoms to form InS4 tetrahedra that share  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Zn(1), and one In(2) atom to form SZnInCu2 tetrahedra that share  a cornercorner with one S(4)In2Cu2 tetrahedra,  a cornercorner with one S(3)ZnIn2Cu tetrahedra, corners with two equivalent S(1)ZnInCu2 tetrahedra, corners with four equivalent S(5)In2Cu2 tetrahedra, and corners with four equivalent S(2)Zn2InCu tetrahedra. In the second S site, S(2) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form SZn2InCu tetrahedra that share  a cornercorner with one S(4)In2Cu2 tetrahedra,  a cornercorner with one S(5)In2Cu2 tetrahedra, corners with two equivalent S(2)Zn2InCu tetrahedra, corners with four equivalent S(3)ZnIn2Cu tetrahedra, and corners with four equivalent S(1)ZnInCu2 tetrahedra. In the third S site, S(3) is bonded to one Cu(2), one Zn(1), and two equivalent In(1) atoms to form SZnIn2Cu tetrahedra that share  a cornercorner with one S(5)In2Cu2 tetrahedra,  a cornercorner with one S(1)ZnInCu2 tetrahedra, corners with two equivalent S(3)ZnIn2Cu tetrahedra, corners with four equivalent S(4)In2Cu2 tetrahedra, and corners with four equivalent S(2)Zn2InCu tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Cu(2), one In(1), and one In(2) atom to form SIn2Cu2 tetrahedra that share  a cornercorner with one S(2)Zn2InCu tetrahedra,  a cornercorner with one S(1)ZnInCu2 tetrahedra, corners with two equivalent S(4)In2Cu2 tetrahedra, corners with four equivalent S(5)In2Cu2 tetrahedra, and corners with four equivalent S(3)ZnIn2Cu tetrahedra. In the fifth S site, S(5) is bonded to one Cu(1), one Cu(2), and two equivalent In(2) atoms to form SIn2Cu2 tetrahedra that share  a cornercorner with one S(2)Zn2InCu tetrahedra,  a cornercorner with one S(3)ZnIn2Cu tetrahedra, corners with two equivalent S(5)In2Cu2 tetrahedra, corners with four equivalent S(4)In2Cu2 tetrahedra, and corners with four equivalent S(1)ZnInCu2 tetrahedra. is represented by the CIF file [CIF]
data_ZnIn2Cu2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.415
_cell_length_b   10.415
_cell_length_c   5.537
_cell_angle_alpha   74.631
_cell_angle_beta   74.631
_cell_angle_gamma   21.809
_symmetry_Int_Tables_number   1
_cell_volume   214.863
_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  0.595  0.595  0.405  1.0
  In  In1  1  0.199  0.199  0.809  1.0
  In  In2  1  0.404  0.404  0.598  1.0
  Cu  Cu3  1  0.001  0.001  0.992  1.0
  Cu  Cu4  1  0.801  0.801  0.197  1.0
  S  S5  1  0.505  0.505  0.766  1.0
  S  S6  1  0.094  0.094  0.164  1.0
  S  S7  1  0.701  0.701  0.523  1.0
  S  S8  1  0.301  0.301  0.975  1.0
  S  S9  1  0.901  0.901  0.320  1.0
[/CIF]
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The compound described by Cu2ZnIn2S5 is Stannite-like structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(5), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one In(1)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(3), one S(5), and two equivalent S(4) atoms to form CuS4 tetrahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. Zn(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form ZnS4 tetrahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one In(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(2), one S(4), and two equivalent S(3) atoms to form InS4 tetrahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one In(2)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Zn(1)S4 tetrahedra. In the second In site, In(2) is bonded to one S(1), one S(4), and two equivalent S(5) atoms to form InS4 tetrahedra that share  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Zn(1), and one In(2) atom to form SZnInCu2 tetrahedra that share  a cornercorner with one S(4)In2Cu2 tetrahedra,  a cornercorner with one S(3)ZnIn2Cu tetrahedra, corners with two equivalent S(1)ZnInCu2 tetrahedra, corners with four equivalent S(5)In2Cu2 tetrahedra, and corners with four equivalent S(2)Zn2InCu tetrahedra. In the second S site, S(2) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form SZn2InCu tetrahedra that share  a cornercorner with one S(4)In2Cu2 tetrahedra,  a cornercorner with one S(5)In2Cu2 tetrahedra, corners with two equivalent S(2)Zn2InCu tetrahedra, corners with four equivalent S(3)ZnIn2Cu tetrahedra, and corners with four equivalent S(1)ZnInCu2 tetrahedra. In the third S site, S(3) is bonded to one Cu(2), one Zn(1), and two equivalent In(1) atoms to form SZnIn2Cu tetrahedra that share  a cornercorner with one S(5)In2Cu2 tetrahedra,  a cornercorner with one S(1)ZnInCu2 tetrahedra, corners with two equivalent S(3)ZnIn2Cu tetrahedra, corners with four equivalent S(4)In2Cu2 tetrahedra, and corners with four equivalent S(2)Zn2InCu tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Cu(2), one In(1), and one In(2) atom to form SIn2Cu2 tetrahedra that share  a cornercorner with one S(2)Zn2InCu tetrahedra,  a cornercorner with one S(1)ZnInCu2 tetrahedra, corners with two equivalent S(4)In2Cu2 tetrahedra, corners with four equivalent S(5)In2Cu2 tetrahedra, and corners with four equivalent S(3)ZnIn2Cu tetrahedra. In the fifth S site, S(5) is bonded to one Cu(1), one Cu(2), and two equivalent In(2) atoms to form SIn2Cu2 tetrahedra that share  a cornercorner with one S(2)Zn2InCu tetrahedra,  a cornercorner with one S(3)ZnIn2Cu tetrahedra, corners with two equivalent S(5)In2Cu2 tetrahedra, corners with four equivalent S(4)In2Cu2 tetrahedra, and corners with four equivalent S(1)ZnInCu2 tetrahedra. is represented by the CIF file [CIF]
data_ZnIn2Cu2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.415
_cell_length_b   10.415
_cell_length_c   5.537
_cell_angle_alpha   74.631
_cell_angle_beta   74.631
_cell_angle_gamma   21.809
_symmetry_Int_Tables_number   1
_cell_volume   214.863
_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  0.595  0.595  0.405  1.0
  In  In1  1  0.199  0.199  0.809  1.0
  In  In2  1  0.404  0.404  0.598  1.0
  Cu  Cu3  1  0.001  0.001  0.992  1.0
  Cu  Cu4  1  0.801  0.801  0.197  1.0
  S  S5  1  0.505  0.505  0.766  1.0
  S  S6  1  0.094  0.094  0.164  1.0
  S  S7  1  0.701  0.701  0.523  1.0
  S  S8  1  0.301  0.301  0.975  1.0
  S  S9  1  0.901  0.901  0.320  1.0
[/CIF]
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