The compound described by BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Bi(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. In the second I site, I(2) is bonded to four equivalent Bi(1) and four equivalent I(1) atoms to form a mixture of corner, face, and edge-sharing IBi4I4 tetrahedra. is represented by the CIF card [CIF]
data_BiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.750
_cell_length_b   5.750
_cell_length_c   5.750
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   134.454
_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
  Bi  Bi0  1  0.000  0.000  0.000  1.0
  I  I1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.750  0.750  0.750  1.0
  I  I3  1  0.250  0.250  0.250  1.0
[/CIF]
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The compound described by BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Bi(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. In the second I site, I(2) is bonded to four equivalent Bi(1) and four equivalent I(1) atoms to form a mixture of corner, face, and edge-sharing IBi4I4 tetrahedra. is represented by the CIF card [CIF]
data_BiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.750
_cell_length_b   5.750
_cell_length_c   5.750
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   134.454
_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
  Bi  Bi0  1  0.000  0.000  0.000  1.0
  I  I1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.750  0.750  0.750  1.0
  I  I3  1  0.250  0.250  0.250  1.0
[/CIF]
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