The material described by BaGaSn crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded in a 9-coordinate geometry to six equivalent Ga(1) and three equivalent Sn(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent Ga(1) atoms. Sn(1) is bonded to three equivalent Ba(1) and three equivalent Sn(1) atoms to form distorted edge-sharing SnBa3Sn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   4.674
_cell_length_c   10.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.677
_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  0.000  0.000  0.233  1.0
  Ba  Ba1  1  0.000  0.000  0.767  1.0
  Ga  Ga2  1  0.333  0.667  0.007  1.0
  Ga  Ga3  1  0.667  0.333  0.993  1.0
  Sn  Sn4  1  0.667  0.333  0.555  1.0
  Sn  Sn5  1  0.333  0.667  0.445  1.0
[/CIF]
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The material described by BaGaSn crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded in a 9-coordinate geometry to six equivalent Ga(1) and three equivalent Sn(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent Ga(1) atoms. Sn(1) is bonded to three equivalent Ba(1) and three equivalent Sn(1) atoms to form distorted edge-sharing SnBa3Sn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   4.674
_cell_length_c   10.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.677
_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  0.000  0.000  0.233  1.0
  Ba  Ba1  1  0.000  0.000  0.767  1.0
  Ga  Ga2  1  0.333  0.667  0.007  1.0
  Ga  Ga3  1  0.667  0.333  0.993  1.0
  Sn  Sn4  1  0.667  0.333  0.555  1.0
  Sn  Sn5  1  0.333  0.667  0.445  1.0
[/CIF]
.