The compound described by Ba(GaGe) crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to six equivalent Ga(1) and six equivalent Ge(1) atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. In the second Ba site, Ba(2) is bonded to six equivalent Ga(1) and six equivalent Ge(1) atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and three equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and three equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_BaGaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.346
_cell_length_b   4.346
_cell_length_c   20.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   336.726
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.250  1.0
  Ba  Ba3  1  0.000  0.000  0.750  1.0
  Ga  Ga4  1  0.333  0.667  0.365  1.0
  Ga  Ga5  1  0.667  0.333  0.635  1.0
  Ga  Ga6  1  0.667  0.333  0.865  1.0
  Ga  Ga7  1  0.333  0.667  0.135  1.0
  Ge  Ge8  1  0.333  0.667  0.884  1.0
  Ge  Ge9  1  0.667  0.333  0.116  1.0
  Ge  Ge10  1  0.667  0.333  0.384  1.0
  Ge  Ge11  1  0.333  0.667  0.616  1.0
[/CIF]
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The compound described by Ba(GaGe) crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to six equivalent Ga(1) and six equivalent Ge(1) atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. In the second Ba site, Ba(2) is bonded to six equivalent Ga(1) and six equivalent Ge(1) atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and three equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and three equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_BaGaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.346
_cell_length_b   4.346
_cell_length_c   20.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   336.726
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.250  1.0
  Ba  Ba3  1  0.000  0.000  0.750  1.0
  Ga  Ga4  1  0.333  0.667  0.365  1.0
  Ga  Ga5  1  0.667  0.333  0.635  1.0
  Ga  Ga6  1  0.667  0.333  0.865  1.0
  Ga  Ga7  1  0.333  0.667  0.135  1.0
  Ge  Ge8  1  0.333  0.667  0.884  1.0
  Ge  Ge9  1  0.667  0.333  0.116  1.0
  Ge  Ge10  1  0.667  0.333  0.384  1.0
  Ge  Ge11  1  0.333  0.667  0.616  1.0
[/CIF]
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