The structure described by CuI crystallizes in the trigonal R-3m space group. Cu(1) is bonded to one I(1) and three equivalent I(2) atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the second I site, I(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.297
_cell_length_b   7.297
_cell_length_c   7.297
_cell_angle_alpha   35.215
_cell_angle_beta   35.215
_cell_angle_gamma   35.215
_symmetry_Int_Tables_number   1
_cell_volume   115.418
_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
  Cu  Cu0  1  0.123  0.123  0.123  1.0
  Cu  Cu1  1  0.877  0.877  0.877  1.0
  I  I2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by CuI crystallizes in the trigonal R-3m space group. Cu(1) is bonded to one I(1) and three equivalent I(2) atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the second I site, I(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.297
_cell_length_b   7.297
_cell_length_c   7.297
_cell_angle_alpha   35.215
_cell_angle_beta   35.215
_cell_angle_gamma   35.215
_symmetry_Int_Tables_number   1
_cell_volume   115.418
_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
  Cu  Cu0  1  0.123  0.123  0.123  1.0
  Cu  Cu1  1  0.877  0.877  0.877  1.0
  I  I2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.500  0.500  0.500  1.0
[/CIF]
.