The material structure described by Ga4Bi3As is Enargite-like structured and crystallizes in the trigonal R3m space group. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to three equivalent Bi(1) and one As(1) atom to form GaBi3As tetrahedra that share corners with three equivalent Ga(2)Bi4 tetrahedra, corners with three equivalent Ga(4)BiAs3 tetrahedra, and corners with six equivalent Ga(1)Bi3As tetrahedra. In the second Ga site, Ga(2) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form GaBi4 tetrahedra that share corners with three equivalent Ga(1)Bi3As tetrahedra, corners with three equivalent Ga(3)Bi4 tetrahedra, and corners with six equivalent Ga(2)Bi4 tetrahedra. In the third Ga site, Ga(3) is bonded to one Bi(2) and three equivalent Bi(3) atoms to form GaBi4 tetrahedra that share corners with three equivalent Ga(2)Bi4 tetrahedra, corners with three equivalent Ga(4)BiAs3 tetrahedra, and corners with six equivalent Ga(3)Bi4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one Bi(3) and three equivalent As(1) atoms to form GaBiAs3 tetrahedra that share corners with three equivalent Ga(1)Bi3As tetrahedra, corners with three equivalent Ga(3)Bi4 tetrahedra, and corners with six equivalent Ga(4)BiAs3 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form BiGa4 tetrahedra that share corners with three equivalent Bi(2)Ga4 tetrahedra, corners with three equivalent As(1)Ga4 tetrahedra, and corners with six equivalent Bi(1)Ga4 tetrahedra. In the second Bi site, Bi(2) is bonded to one Ga(3) and three equivalent Ga(2) atoms to form corner-sharing BiGa4 tetrahedra. In the third Bi site, Bi(3) is bonded to one Ga(4) and three equivalent Ga(3) atoms to form BiGa4 tetrahedra that share corners with three equivalent Bi(2)Ga4 tetrahedra, corners with three equivalent As(1)Ga4 tetrahedra, and corners with six equivalent Bi(3)Ga4 tetrahedra. As(1) is bonded to one Ga(1) and three equivalent Ga(4) atoms to form AsGa4 tetrahedra that share corners with three equivalent Bi(1)Ga4 tetrahedra, corners with three equivalent Bi(3)Ga4 tetrahedra, and corners with six equivalent As(1)Ga4 tetrahedra. is represented by the CIF card [CIF]
data_Ga4Bi3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.574
_cell_length_b   14.574
_cell_length_c   14.574
_cell_angle_alpha   17.763
_cell_angle_beta   17.763
_cell_angle_gamma   17.763
_symmetry_Int_Tables_number   1
_cell_volume   251.493
_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  0.058  0.058  0.058  1.0
  Ga  Ga1  1  0.812  0.812  0.812  1.0
  Ga  Ga2  1  0.564  0.564  0.564  1.0
  Ga  Ga3  1  0.317  0.317  0.317  1.0
  Bi  Bi4  1  0.748  0.748  0.748  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  Bi  Bi6  1  0.252  0.252  0.252  1.0
  As  As7  1  1.000  1.000  1.000  1.0
[/CIF]
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The material structure described by Ga4Bi3As is Enargite-like structured and crystallizes in the trigonal R3m space group. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to three equivalent Bi(1) and one As(1) atom to form GaBi3As tetrahedra that share corners with three equivalent Ga(2)Bi4 tetrahedra, corners with three equivalent Ga(4)BiAs3 tetrahedra, and corners with six equivalent Ga(1)Bi3As tetrahedra. In the second Ga site, Ga(2) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form GaBi4 tetrahedra that share corners with three equivalent Ga(1)Bi3As tetrahedra, corners with three equivalent Ga(3)Bi4 tetrahedra, and corners with six equivalent Ga(2)Bi4 tetrahedra. In the third Ga site, Ga(3) is bonded to one Bi(2) and three equivalent Bi(3) atoms to form GaBi4 tetrahedra that share corners with three equivalent Ga(2)Bi4 tetrahedra, corners with three equivalent Ga(4)BiAs3 tetrahedra, and corners with six equivalent Ga(3)Bi4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one Bi(3) and three equivalent As(1) atoms to form GaBiAs3 tetrahedra that share corners with three equivalent Ga(1)Bi3As tetrahedra, corners with three equivalent Ga(3)Bi4 tetrahedra, and corners with six equivalent Ga(4)BiAs3 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form BiGa4 tetrahedra that share corners with three equivalent Bi(2)Ga4 tetrahedra, corners with three equivalent As(1)Ga4 tetrahedra, and corners with six equivalent Bi(1)Ga4 tetrahedra. In the second Bi site, Bi(2) is bonded to one Ga(3) and three equivalent Ga(2) atoms to form corner-sharing BiGa4 tetrahedra. In the third Bi site, Bi(3) is bonded to one Ga(4) and three equivalent Ga(3) atoms to form BiGa4 tetrahedra that share corners with three equivalent Bi(2)Ga4 tetrahedra, corners with three equivalent As(1)Ga4 tetrahedra, and corners with six equivalent Bi(3)Ga4 tetrahedra. As(1) is bonded to one Ga(1) and three equivalent Ga(4) atoms to form AsGa4 tetrahedra that share corners with three equivalent Bi(1)Ga4 tetrahedra, corners with three equivalent Bi(3)Ga4 tetrahedra, and corners with six equivalent As(1)Ga4 tetrahedra. is represented by the CIF card [CIF]
data_Ga4Bi3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.574
_cell_length_b   14.574
_cell_length_c   14.574
_cell_angle_alpha   17.763
_cell_angle_beta   17.763
_cell_angle_gamma   17.763
_symmetry_Int_Tables_number   1
_cell_volume   251.493
_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  0.058  0.058  0.058  1.0
  Ga  Ga1  1  0.812  0.812  0.812  1.0
  Ga  Ga2  1  0.564  0.564  0.564  1.0
  Ga  Ga3  1  0.317  0.317  0.317  1.0
  Bi  Bi4  1  0.748  0.748  0.748  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  Bi  Bi6  1  0.252  0.252  0.252  1.0
  As  As7  1  1.000  1.000  1.000  1.0
[/CIF]
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