The material described by Ga2BiAs is Enargite-like structured and crystallizes in the trigonal R3m space group. There are two 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 six equivalent Ga(1)Bi3As tetrahedra and corners with six equivalent Ga(2)BiAs3 tetrahedra. In the second Ga site, Ga(2) is bonded to one Bi(1) and three equivalent As(1) atoms to form GaBiAs3 tetrahedra that share corners with six equivalent Ga(1)Bi3As tetrahedra and corners with six equivalent Ga(2)BiAs3 tetrahedra. Bi(1) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form BiGa4 tetrahedra that share corners with six equivalent Bi(1)Ga4 tetrahedra and corners with six equivalent As(1)Ga4 tetrahedra. As(1) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with six equivalent Bi(1)Ga4 tetrahedra and corners with six equivalent As(1)Ga4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.340
_cell_length_b   4.340
_cell_length_c   7.491
_cell_angle_alpha   73.160
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.168
_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  0.883  0.766  0.352  1.0
  Ga  Ga1  1  0.367  0.734  0.899  1.0
  Bi  Bi2  1  0.500  0.999  0.501  1.0
  As  As3  1  0.000  0.001  0.999  1.0
[/CIF]
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The material described by Ga2BiAs is Enargite-like structured and crystallizes in the trigonal R3m space group. There are two 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 six equivalent Ga(1)Bi3As tetrahedra and corners with six equivalent Ga(2)BiAs3 tetrahedra. In the second Ga site, Ga(2) is bonded to one Bi(1) and three equivalent As(1) atoms to form GaBiAs3 tetrahedra that share corners with six equivalent Ga(1)Bi3As tetrahedra and corners with six equivalent Ga(2)BiAs3 tetrahedra. Bi(1) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form BiGa4 tetrahedra that share corners with six equivalent Bi(1)Ga4 tetrahedra and corners with six equivalent As(1)Ga4 tetrahedra. As(1) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with six equivalent Bi(1)Ga4 tetrahedra and corners with six equivalent As(1)Ga4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.340
_cell_length_b   4.340
_cell_length_c   7.491
_cell_angle_alpha   73.160
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.168
_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  0.883  0.766  0.352  1.0
  Ga  Ga1  1  0.367  0.734  0.899  1.0
  Bi  Bi2  1  0.500  0.999  0.501  1.0
  As  As3  1  0.000  0.001  0.999  1.0
[/CIF]
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