The structure described by Ba5Ga6 crystallizes in the monoclinic Pm space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted water-like geometry to one Ba(2) and two equivalent Ga(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(7), two equivalent Ba(8), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the third Ba site, Ba(3) is bonded in a water-like geometry to one Ba(2) and two equivalent Ga(1) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted water-like geometry to one Ba(6) and two equivalent Ga(5) atoms. In the fifth Ba site, Ba(5) is bonded in a water-like geometry to one Ba(6) and two equivalent Ga(5) atoms. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one Ba(4), one Ba(5), two equivalent Ba(7), two equivalent Ba(8), two equivalent Ga(4), and two equivalent Ga(6) atoms. In the seventh Ba site, Ba(7) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(6), one Ga(1), one Ga(3), one Ga(4), and one Ga(5) atom. In the eighth Ba site, Ba(8) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(6), one Ga(1), one Ga(2), one Ga(5), and one Ga(6) atom. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(7), one Ba(8), one Ga(4), and one Ga(6) atom. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(8), one Ga(3), and one Ga(5) atom. In the third Ga site, Ga(3) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(7), one Ga(2), and one Ga(5) atom. In the fourth Ga site, Ga(4) is bonded in a 2-coordinate geometry to one Ba(6), one Ba(7), one Ga(1), and one Ga(6) atom. In the fifth Ga site, Ga(5) is bonded in a 6-coordinate geometry to one Ba(4), one Ba(5), one Ba(7), one Ba(8), one Ga(2), and one Ga(3) atom. In the sixth Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Ba(6), one Ba(8), one Ga(1), and one Ga(4) atom. is represented by the CIF file [CIF]
data_Ba5Ga6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.845
_cell_length_c   14.625
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   779.530
_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  0.350  0.992  0.250  1.0
  Ba  Ba1  1  0.642  0.650  0.250  1.0
  Ba  Ba2  1  0.008  0.358  0.250  1.0
  Ba  Ba3  1  0.650  0.008  0.750  1.0
  Ba  Ba4  1  0.992  0.642  0.750  1.0
  Ba  Ba5  1  0.358  0.350  0.750  1.0
  Ba  Ba6  1  0.667  0.333  0.998  1.0
  Ba  Ba7  1  0.667  0.333  0.502  1.0
  Ba  Ba8  1  0.333  0.667  0.002  1.0
  Ba  Ba9  1  0.333  0.667  0.498  1.0
  Ga  Ga10  1  0.202  0.198  0.077  1.0
  Ga  Ga11  1  0.996  0.798  0.077  1.0
  Ga  Ga12  1  0.802  0.004  0.077  1.0
  Ga  Ga13  1  0.202  0.198  0.423  1.0
  Ga  Ga14  1  0.996  0.798  0.423  1.0
  Ga  Ga15  1  0.802  0.004  0.423  1.0
  Ga  Ga16  1  0.004  0.202  0.577  1.0
  Ga  Ga17  1  0.803  0.792  0.578  1.0
  Ga  Ga18  1  0.198  0.996  0.577  1.0
  Ga  Ga19  1  0.004  0.202  0.923  1.0
  Ga  Ga20  1  0.803  0.792  0.922  1.0
  Ga  Ga21  1  0.198  0.996  0.923  1.0
[/CIF]
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The structure described by Ba5Ga6 crystallizes in the monoclinic Pm space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted water-like geometry to one Ba(2) and two equivalent Ga(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(7), two equivalent Ba(8), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the third Ba site, Ba(3) is bonded in a water-like geometry to one Ba(2) and two equivalent Ga(1) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted water-like geometry to one Ba(6) and two equivalent Ga(5) atoms. In the fifth Ba site, Ba(5) is bonded in a water-like geometry to one Ba(6) and two equivalent Ga(5) atoms. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one Ba(4), one Ba(5), two equivalent Ba(7), two equivalent Ba(8), two equivalent Ga(4), and two equivalent Ga(6) atoms. In the seventh Ba site, Ba(7) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(6), one Ga(1), one Ga(3), one Ga(4), and one Ga(5) atom. In the eighth Ba site, Ba(8) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(6), one Ga(1), one Ga(2), one Ga(5), and one Ga(6) atom. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(7), one Ba(8), one Ga(4), and one Ga(6) atom. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(8), one Ga(3), and one Ga(5) atom. In the third Ga site, Ga(3) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(7), one Ga(2), and one Ga(5) atom. In the fourth Ga site, Ga(4) is bonded in a 2-coordinate geometry to one Ba(6), one Ba(7), one Ga(1), and one Ga(6) atom. In the fifth Ga site, Ga(5) is bonded in a 6-coordinate geometry to one Ba(4), one Ba(5), one Ba(7), one Ba(8), one Ga(2), and one Ga(3) atom. In the sixth Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Ba(6), one Ba(8), one Ga(1), and one Ga(4) atom. is represented by the CIF file [CIF]
data_Ba5Ga6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.845
_cell_length_c   14.625
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   779.530
_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  0.350  0.992  0.250  1.0
  Ba  Ba1  1  0.642  0.650  0.250  1.0
  Ba  Ba2  1  0.008  0.358  0.250  1.0
  Ba  Ba3  1  0.650  0.008  0.750  1.0
  Ba  Ba4  1  0.992  0.642  0.750  1.0
  Ba  Ba5  1  0.358  0.350  0.750  1.0
  Ba  Ba6  1  0.667  0.333  0.998  1.0
  Ba  Ba7  1  0.667  0.333  0.502  1.0
  Ba  Ba8  1  0.333  0.667  0.002  1.0
  Ba  Ba9  1  0.333  0.667  0.498  1.0
  Ga  Ga10  1  0.202  0.198  0.077  1.0
  Ga  Ga11  1  0.996  0.798  0.077  1.0
  Ga  Ga12  1  0.802  0.004  0.077  1.0
  Ga  Ga13  1  0.202  0.198  0.423  1.0
  Ga  Ga14  1  0.996  0.798  0.423  1.0
  Ga  Ga15  1  0.802  0.004  0.423  1.0
  Ga  Ga16  1  0.004  0.202  0.577  1.0
  Ga  Ga17  1  0.803  0.792  0.578  1.0
  Ga  Ga18  1  0.198  0.996  0.577  1.0
  Ga  Ga19  1  0.004  0.202  0.923  1.0
  Ga  Ga20  1  0.803  0.792  0.922  1.0
  Ga  Ga21  1  0.198  0.996  0.923  1.0
[/CIF]
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