The material described by Ba3Sn2 crystallizes in the tetragonal P4_32_12 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Ba(2), six equivalent Ba(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ba3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.706
_cell_length_b   6.706
_cell_length_c   18.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.120
_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  0.343  0.916  0.136  1.0
  Ba  Ba1  1  0.657  0.084  0.636  1.0
  Ba  Ba2  1  0.416  0.157  0.386  1.0
  Ba  Ba3  1  0.584  0.843  0.886  1.0
  Ba  Ba4  1  0.084  0.657  0.364  1.0
  Ba  Ba5  1  0.916  0.343  0.864  1.0
  Ba  Ba6  1  0.157  0.416  0.614  1.0
  Ba  Ba7  1  0.843  0.584  0.114  1.0
  Ba  Ba8  1  0.825  0.175  0.250  1.0
  Ba  Ba9  1  0.175  0.825  0.750  1.0
  Ba  Ba10  1  0.675  0.675  0.500  1.0
  Ba  Ba11  1  0.325  0.325  0.000  1.0
  Sn  Sn12  1  0.329  0.414  0.203  1.0
  Sn  Sn13  1  0.671  0.586  0.703  1.0
  Sn  Sn14  1  0.914  0.171  0.453  1.0
  Sn  Sn15  1  0.086  0.829  0.953  1.0
  Sn  Sn16  1  0.586  0.671  0.297  1.0
  Sn  Sn17  1  0.414  0.329  0.797  1.0
  Sn  Sn18  1  0.171  0.914  0.547  1.0
  Sn  Sn19  1  0.829  0.086  0.047  1.0
[/CIF]
.
The material described by Ba3Sn2 crystallizes in the tetragonal P4_32_12 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Ba(2), six equivalent Ba(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ba3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.706
_cell_length_b   6.706
_cell_length_c   18.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.120
_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  0.343  0.916  0.136  1.0
  Ba  Ba1  1  0.657  0.084  0.636  1.0
  Ba  Ba2  1  0.416  0.157  0.386  1.0
  Ba  Ba3  1  0.584  0.843  0.886  1.0
  Ba  Ba4  1  0.084  0.657  0.364  1.0
  Ba  Ba5  1  0.916  0.343  0.864  1.0
  Ba  Ba6  1  0.157  0.416  0.614  1.0
  Ba  Ba7  1  0.843  0.584  0.114  1.0
  Ba  Ba8  1  0.825  0.175  0.250  1.0
  Ba  Ba9  1  0.175  0.825  0.750  1.0
  Ba  Ba10  1  0.675  0.675  0.500  1.0
  Ba  Ba11  1  0.325  0.325  0.000  1.0
  Sn  Sn12  1  0.329  0.414  0.203  1.0
  Sn  Sn13  1  0.671  0.586  0.703  1.0
  Sn  Sn14  1  0.914  0.171  0.453  1.0
  Sn  Sn15  1  0.086  0.829  0.953  1.0
  Sn  Sn16  1  0.586  0.671  0.297  1.0
  Sn  Sn17  1  0.414  0.329  0.797  1.0
  Sn  Sn18  1  0.171  0.914  0.547  1.0
  Sn  Sn19  1  0.829  0.086  0.047  1.0
[/CIF]
.