The crystal structure described by InGa5As4 crystallizes in the trigonal R3m space group. In(1) is bonded to one Ga(5) and three equivalent Ga(1) atoms to form distorted InGa4 trigonal pyramids that share corners with three equivalent As(1)Ga4 tetrahedra, corners with three equivalent As(4)Ga4 tetrahedra, and corners with six equivalent In(1)Ga4 trigonal pyramids. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to three equivalent In(1) and one As(1) atom. In the second Ga site, Ga(2) is bonded to one As(2) and three equivalent As(1) atoms to form corner-sharing GaAs4 tetrahedra. In the third Ga site, Ga(3) is bonded to one As(3) and three equivalent As(2) atoms to form corner-sharing GaAs4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one As(4) and three equivalent As(3) atoms to form GaAs4 tetrahedra that share corners with three equivalent Ga(3)As4 tetrahedra, corners with three equivalent Ga(5)InAs3 tetrahedra, and corners with six equivalent Ga(4)As4 tetrahedra. In the fifth Ga site, Ga(5) is bonded to one In(1) and three equivalent As(4) atoms to form GaInAs3 tetrahedra that share corners with three equivalent Ga(4)As4 tetrahedra and corners with six equivalent Ga(5)InAs3 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with three equivalent As(2)Ga4 tetrahedra, corners with six equivalent As(1)Ga4 tetrahedra, and corners with three equivalent In(1)Ga4 trigonal pyramids. In the second As site, As(2) is bonded to one Ga(2) and three equivalent Ga(3) atoms to form corner-sharing AsGa4 tetrahedra. In the third As site, As(3) is bonded to one Ga(3) and three equivalent Ga(4) atoms to form corner-sharing AsGa4 tetrahedra. In the fourth As site, As(4) is bonded to one Ga(4) and three equivalent Ga(5) atoms to form AsGa4 tetrahedra that share corners with three equivalent As(3)Ga4 tetrahedra, corners with six equivalent As(4)Ga4 tetrahedra, and corners with three equivalent In(1)Ga4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_InGa5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   4.111
_cell_length_c   17.524
_cell_angle_alpha   96.735
_cell_angle_beta   83.265
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   254.073
_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  0.354  0.646  0.938  1.0
  Ga  Ga1  1  0.992  0.008  0.024  1.0
  Ga  Ga2  1  0.596  0.404  0.213  1.0
  Ga  Ga3  1  0.199  0.801  0.402  1.0
  Ga  Ga4  1  0.803  0.197  0.592  1.0
  Ga  Ga5  1  0.406  0.594  0.782  1.0
  As  As6  1  0.945  0.055  0.164  1.0
  As  As7  1  0.548  0.452  0.355  1.0
  As  As8  1  0.151  0.849  0.546  1.0
  As  As9  1  0.755  0.245  0.734  1.0
[/CIF]
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The crystal structure described by InGa5As4 crystallizes in the trigonal R3m space group. In(1) is bonded to one Ga(5) and three equivalent Ga(1) atoms to form distorted InGa4 trigonal pyramids that share corners with three equivalent As(1)Ga4 tetrahedra, corners with three equivalent As(4)Ga4 tetrahedra, and corners with six equivalent In(1)Ga4 trigonal pyramids. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to three equivalent In(1) and one As(1) atom. In the second Ga site, Ga(2) is bonded to one As(2) and three equivalent As(1) atoms to form corner-sharing GaAs4 tetrahedra. In the third Ga site, Ga(3) is bonded to one As(3) and three equivalent As(2) atoms to form corner-sharing GaAs4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one As(4) and three equivalent As(3) atoms to form GaAs4 tetrahedra that share corners with three equivalent Ga(3)As4 tetrahedra, corners with three equivalent Ga(5)InAs3 tetrahedra, and corners with six equivalent Ga(4)As4 tetrahedra. In the fifth Ga site, Ga(5) is bonded to one In(1) and three equivalent As(4) atoms to form GaInAs3 tetrahedra that share corners with three equivalent Ga(4)As4 tetrahedra and corners with six equivalent Ga(5)InAs3 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with three equivalent As(2)Ga4 tetrahedra, corners with six equivalent As(1)Ga4 tetrahedra, and corners with three equivalent In(1)Ga4 trigonal pyramids. In the second As site, As(2) is bonded to one Ga(2) and three equivalent Ga(3) atoms to form corner-sharing AsGa4 tetrahedra. In the third As site, As(3) is bonded to one Ga(3) and three equivalent Ga(4) atoms to form corner-sharing AsGa4 tetrahedra. In the fourth As site, As(4) is bonded to one Ga(4) and three equivalent Ga(5) atoms to form AsGa4 tetrahedra that share corners with three equivalent As(3)Ga4 tetrahedra, corners with six equivalent As(4)Ga4 tetrahedra, and corners with three equivalent In(1)Ga4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_InGa5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   4.111
_cell_length_c   17.524
_cell_angle_alpha   96.735
_cell_angle_beta   83.265
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   254.073
_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  0.354  0.646  0.938  1.0
  Ga  Ga1  1  0.992  0.008  0.024  1.0
  Ga  Ga2  1  0.596  0.404  0.213  1.0
  Ga  Ga3  1  0.199  0.801  0.402  1.0
  Ga  Ga4  1  0.803  0.197  0.592  1.0
  Ga  Ga5  1  0.406  0.594  0.782  1.0
  As  As6  1  0.945  0.055  0.164  1.0
  As  As7  1  0.548  0.452  0.355  1.0
  As  As8  1  0.151  0.849  0.546  1.0
  As  As9  1  0.755  0.245  0.734  1.0
[/CIF]
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