The material described by Ga4BiAs3 is Enargite-like structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Bi(1) and two equivalent As(2) atoms to form GaBi2As2 tetrahedra that share corners with two equivalent Ga(3)As4 tetrahedra, corners with two equivalent Ga(1)Bi2As2 tetrahedra, and corners with eight equivalent Ga(2)BiAs3 tetrahedra. In the second Ga site, Ga(2) is bonded to one Bi(1), one As(1), and two equivalent As(2) atoms to form GaBiAs3 tetrahedra that share corners with four equivalent Ga(3)As4 tetrahedra, corners with four equivalent Ga(1)Bi2As2 tetrahedra, and corners with four equivalent Ga(2)BiAs3 tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form GaAs4 tetrahedra that share corners with two equivalent Ga(3)As4 tetrahedra, corners with two equivalent Ga(1)Bi2As2 tetrahedra, and corners with eight equivalent Ga(2)BiAs3 tetrahedra. Bi(1) is bonded to two equivalent Ga(1) and two equivalent Ga(2) atoms to form BiGa4 tetrahedra that share corners with two equivalent Bi(1)Ga4 tetrahedra, corners with two equivalent As(1)Ga4 tetrahedra, and corners with eight equivalent As(2)Ga4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Ga(2) and two equivalent Ga(3) atoms to form AsGa4 tetrahedra that share corners with two equivalent Bi(1)Ga4 tetrahedra, corners with two equivalent As(1)Ga4 tetrahedra, and corners with eight equivalent As(2)Ga4 tetrahedra. In the second As site, As(2) is bonded to one Ga(1), one Ga(3), and two equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with four equivalent Bi(1)Ga4 tetrahedra, corners with four equivalent As(1)Ga4 tetrahedra, and corners with four equivalent As(2)Ga4 tetrahedra. is represented by the CIF file [CIF]
data_Ga4BiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.191
_cell_length_b   7.263
_cell_length_c   7.263
_cell_angle_alpha   70.736
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.696
_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  0.500  0.361  0.361  1.0
  Ga  Ga1  1  0.000  0.367  0.894  1.0
  Ga  Ga2  1  0.000  0.894  0.367  1.0
  Ga  Ga3  1  0.500  0.876  0.876  1.0
  Bi  Bi4  1  0.000  0.501  0.501  1.0
  As  As5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.500  0.000  0.500  1.0
  As  As7  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Ga4BiAs3 is Enargite-like structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Bi(1) and two equivalent As(2) atoms to form GaBi2As2 tetrahedra that share corners with two equivalent Ga(3)As4 tetrahedra, corners with two equivalent Ga(1)Bi2As2 tetrahedra, and corners with eight equivalent Ga(2)BiAs3 tetrahedra. In the second Ga site, Ga(2) is bonded to one Bi(1), one As(1), and two equivalent As(2) atoms to form GaBiAs3 tetrahedra that share corners with four equivalent Ga(3)As4 tetrahedra, corners with four equivalent Ga(1)Bi2As2 tetrahedra, and corners with four equivalent Ga(2)BiAs3 tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form GaAs4 tetrahedra that share corners with two equivalent Ga(3)As4 tetrahedra, corners with two equivalent Ga(1)Bi2As2 tetrahedra, and corners with eight equivalent Ga(2)BiAs3 tetrahedra. Bi(1) is bonded to two equivalent Ga(1) and two equivalent Ga(2) atoms to form BiGa4 tetrahedra that share corners with two equivalent Bi(1)Ga4 tetrahedra, corners with two equivalent As(1)Ga4 tetrahedra, and corners with eight equivalent As(2)Ga4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Ga(2) and two equivalent Ga(3) atoms to form AsGa4 tetrahedra that share corners with two equivalent Bi(1)Ga4 tetrahedra, corners with two equivalent As(1)Ga4 tetrahedra, and corners with eight equivalent As(2)Ga4 tetrahedra. In the second As site, As(2) is bonded to one Ga(1), one Ga(3), and two equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with four equivalent Bi(1)Ga4 tetrahedra, corners with four equivalent As(1)Ga4 tetrahedra, and corners with four equivalent As(2)Ga4 tetrahedra. is represented by the CIF file [CIF]
data_Ga4BiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.191
_cell_length_b   7.263
_cell_length_c   7.263
_cell_angle_alpha   70.736
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.696
_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  0.500  0.361  0.361  1.0
  Ga  Ga1  1  0.000  0.367  0.894  1.0
  Ga  Ga2  1  0.000  0.894  0.367  1.0
  Ga  Ga3  1  0.500  0.876  0.876  1.0
  Bi  Bi4  1  0.000  0.501  0.501  1.0
  As  As5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.500  0.000  0.500  1.0
  As  As7  1  0.500  0.500  0.000  1.0
[/CIF]
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