The crystal structure described by Ba3Ga2Al3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to four equivalent Ga(1) and six equivalent Al(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Ba(2), four equivalent Ba(1), and three equivalent Al(1) atoms. Al(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Al3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   5.956
_cell_length_c   14.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   454.878
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.333  0.667  0.877  1.0
  Ba  Ba1  1  0.667  0.333  0.377  1.0
  Ba  Ba2  1  0.667  0.333  0.123  1.0
  Ba  Ba3  1  0.000  0.000  0.000  1.0
  Ba  Ba4  1  0.333  0.667  0.623  1.0
  Ba  Ba5  1  0.000  0.000  0.500  1.0
  Al  Al6  1  0.841  0.681  0.750  1.0
  Al  Al7  1  0.681  0.841  0.250  1.0
  Al  Al8  1  0.841  0.159  0.750  1.0
  Al  Al9  1  0.159  0.841  0.250  1.0
  Al  Al10  1  0.319  0.159  0.750  1.0
  Al  Al11  1  0.159  0.319  0.250  1.0
  Ga  Ga12  1  0.667  0.333  0.885  1.0
  Ga  Ga13  1  0.333  0.667  0.115  1.0
  Ga  Ga14  1  0.333  0.667  0.385  1.0
  Ga  Ga15  1  0.667  0.333  0.615  1.0
[/CIF]
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The crystal structure described by Ba3Ga2Al3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to four equivalent Ga(1) and six equivalent Al(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Ba(2), four equivalent Ba(1), and three equivalent Al(1) atoms. Al(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Al3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.956
_cell_length_b   5.956
_cell_length_c   14.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   454.878
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.333  0.667  0.877  1.0
  Ba  Ba1  1  0.667  0.333  0.377  1.0
  Ba  Ba2  1  0.667  0.333  0.123  1.0
  Ba  Ba3  1  0.000  0.000  0.000  1.0
  Ba  Ba4  1  0.333  0.667  0.623  1.0
  Ba  Ba5  1  0.000  0.000  0.500  1.0
  Al  Al6  1  0.841  0.681  0.750  1.0
  Al  Al7  1  0.681  0.841  0.250  1.0
  Al  Al8  1  0.841  0.159  0.750  1.0
  Al  Al9  1  0.159  0.841  0.250  1.0
  Al  Al10  1  0.319  0.159  0.750  1.0
  Al  Al11  1  0.159  0.319  0.250  1.0
  Ga  Ga12  1  0.667  0.333  0.885  1.0
  Ga  Ga13  1  0.333  0.667  0.115  1.0
  Ga  Ga14  1  0.333  0.667  0.385  1.0
  Ga  Ga15  1  0.667  0.333  0.615  1.0
[/CIF]
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