The material structure described by InGa(AgSe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(2)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In the second Ag site, Ag(2) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Ag(2)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. 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 Ag(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Ag(1), one Ag(2), one In(1), and one Ga(1) atom to form corner-sharing SeInGaAg2 tetrahedra. is represented by the CIF file [CIF]
data_InGa(AgSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   7.266
_cell_length_c   7.266
_cell_angle_alpha   130.109
_cell_angle_beta   130.109
_cell_angle_gamma   73.233
_symmetry_Int_Tables_number   1
_cell_volume   219.061
_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
  In  In0  1  0.500  0.500  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.105  0.135  0.503  1.0
  Se  Se5  1  0.633  0.602  0.497  1.0
  Se  Se6  1  0.398  0.895  0.031  1.0
  Se  Se7  1  0.865  0.367  0.969  1.0
[/CIF]
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The material structure described by InGa(AgSe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(2)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In the second Ag site, Ag(2) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Ag(2)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. 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 Ag(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Ag(1), one Ag(2), one In(1), and one Ga(1) atom to form corner-sharing SeInGaAg2 tetrahedra. is represented by the CIF file [CIF]
data_InGa(AgSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   7.266
_cell_length_c   7.266
_cell_angle_alpha   130.109
_cell_angle_beta   130.109
_cell_angle_gamma   73.233
_symmetry_Int_Tables_number   1
_cell_volume   219.061
_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
  In  In0  1  0.500  0.500  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.105  0.135  0.503  1.0
  Se  Se5  1  0.633  0.602  0.497  1.0
  Se  Se6  1  0.398  0.895  0.031  1.0
  Se  Se7  1  0.865  0.367  0.969  1.0
[/CIF]
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