The material structure described by Ba3SbI3 crystallizes in the cubic I4_132 space group. Ba(1) is bonded to two equivalent Sb(1) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing BaSb2I4 octahedra. The corner-sharing octahedral tilt angles are 2°. Sb(1) is bonded to six equivalent Ba(1) atoms to form edge-sharing SbBa6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3SbI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.304
_cell_length_b   12.303
_cell_length_c   12.303
_cell_angle_alpha   109.470
_cell_angle_beta   109.475
_cell_angle_gamma   109.473
_symmetry_Int_Tables_number   1
_cell_volume   1433.489
_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  0.487  0.494  0.244  1.0
  Ba  Ba1  1  0.750  0.244  0.256  1.0
  Ba  Ba2  1  0.750  0.006  0.494  1.0
  Ba  Ba3  1  0.244  0.487  0.494  1.0
  Ba  Ba4  1  0.256  0.750  0.244  1.0
  Ba  Ba5  1  0.013  0.256  0.006  1.0
  Ba  Ba6  1  0.006  0.013  0.256  1.0
  Ba  Ba7  1  0.494  0.750  0.006  1.0
  Ba  Ba8  1  0.494  0.244  0.487  1.0
  Ba  Ba9  1  0.006  0.494  0.750  1.0
  Ba  Ba10  1  0.256  0.006  0.013  1.0
  Ba  Ba11  1  0.244  0.256  0.750  1.0
  Sb  Sb12  1  0.250  0.250  0.250  1.0
  Sb  Sb13  1  0.500  1.000  0.250  1.0
  Sb  Sb14  1  0.000  0.250  0.500  1.0
  Sb  Sb15  1  0.250  0.500  1.000  1.0
  I  I16  1  0.250  0.749  0.751  1.0
  I  I17  1  0.499  0.499  0.749  1.0
  I  I18  1  0.001  0.751  0.001  1.0
  I  I19  1  0.751  0.250  0.749  1.0
  I  I20  1  0.001  0.001  0.751  1.0
  I  I21  1  0.250  0.001  0.499  1.0
  I  I22  1  0.749  0.499  0.499  1.0
  I  I23  1  0.499  0.250  0.001  1.0
  I  I24  1  0.749  0.751  0.250  1.0
  I  I25  1  0.751  0.001  0.001  1.0
  I  I26  1  0.001  0.499  0.250  1.0
  I  I27  1  0.499  0.749  0.499  1.0
[/CIF]
.
The material structure described by Ba3SbI3 crystallizes in the cubic I4_132 space group. Ba(1) is bonded to two equivalent Sb(1) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing BaSb2I4 octahedra. The corner-sharing octahedral tilt angles are 2°. Sb(1) is bonded to six equivalent Ba(1) atoms to form edge-sharing SbBa6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3SbI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.304
_cell_length_b   12.303
_cell_length_c   12.303
_cell_angle_alpha   109.470
_cell_angle_beta   109.475
_cell_angle_gamma   109.473
_symmetry_Int_Tables_number   1
_cell_volume   1433.489
_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  0.487  0.494  0.244  1.0
  Ba  Ba1  1  0.750  0.244  0.256  1.0
  Ba  Ba2  1  0.750  0.006  0.494  1.0
  Ba  Ba3  1  0.244  0.487  0.494  1.0
  Ba  Ba4  1  0.256  0.750  0.244  1.0
  Ba  Ba5  1  0.013  0.256  0.006  1.0
  Ba  Ba6  1  0.006  0.013  0.256  1.0
  Ba  Ba7  1  0.494  0.750  0.006  1.0
  Ba  Ba8  1  0.494  0.244  0.487  1.0
  Ba  Ba9  1  0.006  0.494  0.750  1.0
  Ba  Ba10  1  0.256  0.006  0.013  1.0
  Ba  Ba11  1  0.244  0.256  0.750  1.0
  Sb  Sb12  1  0.250  0.250  0.250  1.0
  Sb  Sb13  1  0.500  1.000  0.250  1.0
  Sb  Sb14  1  0.000  0.250  0.500  1.0
  Sb  Sb15  1  0.250  0.500  1.000  1.0
  I  I16  1  0.250  0.749  0.751  1.0
  I  I17  1  0.499  0.499  0.749  1.0
  I  I18  1  0.001  0.751  0.001  1.0
  I  I19  1  0.751  0.250  0.749  1.0
  I  I20  1  0.001  0.001  0.751  1.0
  I  I21  1  0.250  0.001  0.499  1.0
  I  I22  1  0.749  0.499  0.499  1.0
  I  I23  1  0.499  0.250  0.001  1.0
  I  I24  1  0.749  0.751  0.250  1.0
  I  I25  1  0.751  0.001  0.001  1.0
  I  I26  1  0.001  0.499  0.250  1.0
  I  I27  1  0.499  0.749  0.499  1.0
[/CIF]
.