The structure described by Ba5Ga5Sn crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent Ga(2), six equivalent Ga(1), and one Sn(1) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent Ga(1), three equivalent Ga(2), and three equivalent Sn(1) atoms. In the third Ba site, Ba(3) is bonded to two equivalent Ga(2) and three equivalent Sn(1) atoms to form corner-sharing BaGa2Sn3 trigonal bipyramids. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted q6 geometry to two equivalent Ba(2), four equivalent Ba(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Ba(3), three equivalent Ba(1), three equivalent Ba(2), and three equivalent Ga(1) atoms. Sn(1) is bonded to two equivalent Ba(1), three equivalent Ba(3), and six equivalent Ba(2) atoms to form distorted face-sharing SnBa11 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba5Ga5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.012
_cell_length_b   6.012
_cell_length_c   11.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   345.876
_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
  Ba  Ba0  1  0.000  0.000  0.669  1.0
  Ba  Ba1  1  0.667  0.333  0.797  1.0
  Ba  Ba2  1  0.667  0.333  0.203  1.0
  Ba  Ba3  1  0.333  0.667  0.000  1.0
  Ba  Ba4  1  0.000  0.000  0.331  1.0
  Ga  Ga5  1  0.514  0.486  0.500  1.0
  Ga  Ga6  1  0.972  0.486  0.500  1.0
  Ga  Ga7  1  0.514  0.028  0.500  1.0
  Ga  Ga8  1  0.333  0.667  0.671  1.0
  Ga  Ga9  1  0.333  0.667  0.329  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Ba5Ga5Sn crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent Ga(2), six equivalent Ga(1), and one Sn(1) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent Ga(1), three equivalent Ga(2), and three equivalent Sn(1) atoms. In the third Ba site, Ba(3) is bonded to two equivalent Ga(2) and three equivalent Sn(1) atoms to form corner-sharing BaGa2Sn3 trigonal bipyramids. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted q6 geometry to two equivalent Ba(2), four equivalent Ba(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Ba(3), three equivalent Ba(1), three equivalent Ba(2), and three equivalent Ga(1) atoms. Sn(1) is bonded to two equivalent Ba(1), three equivalent Ba(3), and six equivalent Ba(2) atoms to form distorted face-sharing SnBa11 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba5Ga5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.012
_cell_length_b   6.012
_cell_length_c   11.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   345.876
_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
  Ba  Ba0  1  0.000  0.000  0.669  1.0
  Ba  Ba1  1  0.667  0.333  0.797  1.0
  Ba  Ba2  1  0.667  0.333  0.203  1.0
  Ba  Ba3  1  0.333  0.667  0.000  1.0
  Ba  Ba4  1  0.000  0.000  0.331  1.0
  Ga  Ga5  1  0.514  0.486  0.500  1.0
  Ga  Ga6  1  0.972  0.486  0.500  1.0
  Ga  Ga7  1  0.514  0.028  0.500  1.0
  Ga  Ga8  1  0.333  0.667  0.671  1.0
  Ga  Ga9  1  0.333  0.667  0.329  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
[/CIF]
.