The structure described by AgCuGa2Se4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Ga(2)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Ga(2)Se4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Ga(2)Se4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form corner-sharing SeGa2CuAg tetrahedra. is represented by the CIF file [CIF]
data_Ga2CuAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.977
_cell_length_b   6.977
_cell_length_c   6.977
_cell_angle_alpha   130.525
_cell_angle_beta   130.525
_cell_angle_gamma   72.569
_symmetry_Int_Tables_number   1
_cell_volume   191.785
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.646  0.619  0.501  1.0
  Se  Se5  1  0.117  0.145  0.499  1.0
  Se  Se6  1  0.855  0.354  0.973  1.0
  Se  Se7  1  0.381  0.883  0.027  1.0
[/CIF]
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The structure described by AgCuGa2Se4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Ga(2)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Ga(2)Se4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Ga(2)Se4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form corner-sharing SeGa2CuAg tetrahedra. is represented by the CIF file [CIF]
data_Ga2CuAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.977
_cell_length_b   6.977
_cell_length_c   6.977
_cell_angle_alpha   130.525
_cell_angle_beta   130.525
_cell_angle_gamma   72.569
_symmetry_Int_Tables_number   1
_cell_volume   191.785
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.646  0.619  0.501  1.0
  Se  Se5  1  0.117  0.145  0.499  1.0
  Se  Se6  1  0.855  0.354  0.973  1.0
  Se  Se7  1  0.381  0.883  0.027  1.0
[/CIF]
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