The material described by LaGaBi2 crystallizes in the hexagonal P6/mmm space group. La(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Bi(2), two equivalent Bi(3), and four equivalent Bi(1) atoms. Ga(1) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent Ga(1), two equivalent Bi(1), and two equivalent Bi(4) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent La(1), two equivalent Ga(1), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded to six equivalent La(1) atoms to form distorted face-sharing BiLa6 pentagonal pyramids. In the fourth Bi site, Bi(4) is bonded to twelve equivalent Ga(1) atoms to form face-sharing BiGa12 cuboctahedra. is represented by the CIF file [CIF]
data_LaGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.757
_cell_length_b   13.757
_cell_length_c   4.433
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   726.621
_cell_formula_units_Z   6
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
  La  La0  1  0.774  0.226  0.500  1.0
  La  La1  1  0.774  0.548  0.500  1.0
  La  La2  1  0.452  0.226  0.500  1.0
  La  La3  1  0.226  0.774  0.500  1.0
  La  La4  1  0.548  0.774  0.500  1.0
  La  La5  1  0.226  0.452  0.500  1.0
  Ga  Ga6  1  0.819  0.819  0.500  1.0
  Ga  Ga7  1  0.181  0.000  0.500  1.0
  Ga  Ga8  1  0.000  0.181  0.500  1.0
  Ga  Ga9  1  0.181  0.181  0.500  1.0
  Ga  Ga10  1  0.819  0.000  0.500  1.0
  Ga  Ga11  1  0.000  0.819  0.500  1.0
  Bi  Bi12  1  0.675  0.675  0.000  1.0
  Bi  Bi13  1  0.325  0.000  0.000  1.0
  Bi  Bi14  1  0.000  0.325  0.000  1.0
  Bi  Bi15  1  0.325  0.325  0.000  1.0
  Bi  Bi16  1  0.675  0.000  0.000  1.0
  Bi  Bi17  1  0.000  0.675  0.000  1.0
  Bi  Bi18  1  0.500  0.500  0.500  1.0
  Bi  Bi19  1  0.500  0.000  0.500  1.0
  Bi  Bi20  1  0.000  0.500  0.500  1.0
  Bi  Bi21  1  0.667  0.333  0.000  1.0
  Bi  Bi22  1  0.333  0.667  0.000  1.0
  Bi  Bi23  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by LaGaBi2 crystallizes in the hexagonal P6/mmm space group. La(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Bi(2), two equivalent Bi(3), and four equivalent Bi(1) atoms. Ga(1) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent Ga(1), two equivalent Bi(1), and two equivalent Bi(4) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent La(1), two equivalent Ga(1), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded to six equivalent La(1) atoms to form distorted face-sharing BiLa6 pentagonal pyramids. In the fourth Bi site, Bi(4) is bonded to twelve equivalent Ga(1) atoms to form face-sharing BiGa12 cuboctahedra. is represented by the CIF file [CIF]
data_LaGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.757
_cell_length_b   13.757
_cell_length_c   4.433
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   726.621
_cell_formula_units_Z   6
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
  La  La0  1  0.774  0.226  0.500  1.0
  La  La1  1  0.774  0.548  0.500  1.0
  La  La2  1  0.452  0.226  0.500  1.0
  La  La3  1  0.226  0.774  0.500  1.0
  La  La4  1  0.548  0.774  0.500  1.0
  La  La5  1  0.226  0.452  0.500  1.0
  Ga  Ga6  1  0.819  0.819  0.500  1.0
  Ga  Ga7  1  0.181  0.000  0.500  1.0
  Ga  Ga8  1  0.000  0.181  0.500  1.0
  Ga  Ga9  1  0.181  0.181  0.500  1.0
  Ga  Ga10  1  0.819  0.000  0.500  1.0
  Ga  Ga11  1  0.000  0.819  0.500  1.0
  Bi  Bi12  1  0.675  0.675  0.000  1.0
  Bi  Bi13  1  0.325  0.000  0.000  1.0
  Bi  Bi14  1  0.000  0.325  0.000  1.0
  Bi  Bi15  1  0.325  0.325  0.000  1.0
  Bi  Bi16  1  0.675  0.000  0.000  1.0
  Bi  Bi17  1  0.000  0.675  0.000  1.0
  Bi  Bi18  1  0.500  0.500  0.500  1.0
  Bi  Bi19  1  0.500  0.000  0.500  1.0
  Bi  Bi20  1  0.000  0.500  0.500  1.0
  Bi  Bi21  1  0.667  0.333  0.000  1.0
  Bi  Bi22  1  0.333  0.667  0.000  1.0
  Bi  Bi23  1  0.000  0.000  0.000  1.0
[/CIF]
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