The crystal structure described by Ir3Sn7 crystallizes in the cubic Im-3m space group. Ir(1) is bonded in a 8-coordinate geometry to four equivalent Sn(1) and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to three equivalent Ir(1) and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sn7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.173
_cell_length_b   8.173
_cell_length_c   8.173
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   420.202
_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
  Sn  Sn0  1  0.000  0.000  0.670  1.0
  Sn  Sn1  1  0.330  0.000  0.000  1.0
  Sn  Sn2  1  0.670  0.670  0.670  1.0
  Sn  Sn3  1  0.000  0.330  0.000  1.0
  Sn  Sn4  1  0.330  0.330  0.330  1.0
  Sn  Sn5  1  0.000  0.670  0.000  1.0
  Sn  Sn6  1  0.250  0.750  0.500  1.0
  Sn  Sn7  1  0.750  0.250  0.500  1.0
  Sn  Sn8  1  0.750  0.500  0.250  1.0
  Sn  Sn9  1  0.250  0.500  0.750  1.0
  Sn  Sn10  1  0.500  0.750  0.250  1.0
  Sn  Sn11  1  0.500  0.250  0.750  1.0
  Sn  Sn12  1  0.000  0.000  0.330  1.0
  Sn  Sn13  1  0.670  0.000  0.000  1.0
  Ir  Ir14  1  0.658  0.000  0.658  1.0
  Ir  Ir15  1  0.658  0.658  0.000  1.0
  Ir  Ir16  1  0.342  0.342  0.000  1.0
  Ir  Ir17  1  0.000  0.658  0.658  1.0
  Ir  Ir18  1  0.000  0.342  0.342  1.0
  Ir  Ir19  1  0.342  0.000  0.342  1.0
[/CIF]
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The crystal structure described by Ir3Sn7 crystallizes in the cubic Im-3m space group. Ir(1) is bonded in a 8-coordinate geometry to four equivalent Sn(1) and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to three equivalent Ir(1) and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sn7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.173
_cell_length_b   8.173
_cell_length_c   8.173
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   420.202
_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
  Sn  Sn0  1  0.000  0.000  0.670  1.0
  Sn  Sn1  1  0.330  0.000  0.000  1.0
  Sn  Sn2  1  0.670  0.670  0.670  1.0
  Sn  Sn3  1  0.000  0.330  0.000  1.0
  Sn  Sn4  1  0.330  0.330  0.330  1.0
  Sn  Sn5  1  0.000  0.670  0.000  1.0
  Sn  Sn6  1  0.250  0.750  0.500  1.0
  Sn  Sn7  1  0.750  0.250  0.500  1.0
  Sn  Sn8  1  0.750  0.500  0.250  1.0
  Sn  Sn9  1  0.250  0.500  0.750  1.0
  Sn  Sn10  1  0.500  0.750  0.250  1.0
  Sn  Sn11  1  0.500  0.250  0.750  1.0
  Sn  Sn12  1  0.000  0.000  0.330  1.0
  Sn  Sn13  1  0.670  0.000  0.000  1.0
  Ir  Ir14  1  0.658  0.000  0.658  1.0
  Ir  Ir15  1  0.658  0.658  0.000  1.0
  Ir  Ir16  1  0.342  0.342  0.000  1.0
  Ir  Ir17  1  0.000  0.658  0.658  1.0
  Ir  Ir18  1  0.000  0.342  0.342  1.0
  Ir  Ir19  1  0.342  0.000  0.342  1.0
[/CIF]
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