The compound described by In2GaAs3 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4m2 space group. In(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form InAs4 tetrahedra that share corners with four equivalent Ga(1)As4 tetrahedra and corners with eight equivalent In(1)As4 tetrahedra. Ga(1) is bonded to four equivalent As(2) atoms to form GaAs4 tetrahedra that share corners with four equivalent Ga(1)As4 tetrahedra and corners with eight equivalent In(1)As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent In(1) atoms to form AsIn4 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra and corners with eight equivalent As(2)In2Ga2 tetrahedra. In the second As site, As(2) is bonded to two equivalent In(1) and two equivalent Ga(1) atoms to form AsIn2Ga2 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra and corners with eight equivalent As(2)In2Ga2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2GaAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.552
_cell_length_b   9.552
_cell_length_c   9.552
_cell_angle_alpha   154.106
_cell_angle_beta   154.106
_cell_angle_gamma   36.946
_symmetry_Int_Tables_number   1
_cell_volume   165.994
_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  0.337  0.337  0.000  1.0
  In  In1  1  0.663  0.663  0.000  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.250  0.750  0.500  1.0
  As  As4  1  0.575  0.075  0.500  1.0
  As  As5  1  0.925  0.425  0.500  1.0
[/CIF]
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The compound described by In2GaAs3 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4m2 space group. In(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form InAs4 tetrahedra that share corners with four equivalent Ga(1)As4 tetrahedra and corners with eight equivalent In(1)As4 tetrahedra. Ga(1) is bonded to four equivalent As(2) atoms to form GaAs4 tetrahedra that share corners with four equivalent Ga(1)As4 tetrahedra and corners with eight equivalent In(1)As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent In(1) atoms to form AsIn4 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra and corners with eight equivalent As(2)In2Ga2 tetrahedra. In the second As site, As(2) is bonded to two equivalent In(1) and two equivalent Ga(1) atoms to form AsIn2Ga2 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra and corners with eight equivalent As(2)In2Ga2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2GaAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.552
_cell_length_b   9.552
_cell_length_c   9.552
_cell_angle_alpha   154.106
_cell_angle_beta   154.106
_cell_angle_gamma   36.946
_symmetry_Int_Tables_number   1
_cell_volume   165.994
_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  0.337  0.337  0.000  1.0
  In  In1  1  0.663  0.663  0.000  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.250  0.750  0.500  1.0
  As  As4  1  0.575  0.075  0.500  1.0
  As  As5  1  0.925  0.425  0.500  1.0
[/CIF]
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