The material described by CuI is Zincblende, Sphalerite structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one I(2) and three equivalent I(1) atoms to form corner-sharing CuI4 tetrahedra. In the second Cu site, Cu(2) is bonded to one I(1) and three equivalent I(2) atoms to form corner-sharing CuI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded to one Cu(2) and three equivalent Cu(1) atoms to form corner-sharing ICu4 tetrahedra. In the second I site, I(2) is bonded to one Cu(1) and three equivalent Cu(2) atoms to form corner-sharing ICu4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.578
_cell_length_b   4.286
_cell_length_c   7.429
_cell_angle_alpha   54.731
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.987
_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
  Cu  Cu0  1  0.377  0.840  0.724  1.0
  Cu  Cu1  1  0.623  0.840  0.224  1.0
  Cu  Cu2  1  0.870  0.772  0.739  1.0
  Cu  Cu3  1  0.130  0.772  0.239  1.0
  I  I4  1  0.374  0.077  0.978  1.0
  I  I5  1  0.626  0.077  0.478  1.0
  I  I6  1  0.877  0.030  0.986  1.0
  I  I7  1  0.123  0.030  0.486  1.0
[/CIF]
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The material described by CuI is Zincblende, Sphalerite structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one I(2) and three equivalent I(1) atoms to form corner-sharing CuI4 tetrahedra. In the second Cu site, Cu(2) is bonded to one I(1) and three equivalent I(2) atoms to form corner-sharing CuI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded to one Cu(2) and three equivalent Cu(1) atoms to form corner-sharing ICu4 tetrahedra. In the second I site, I(2) is bonded to one Cu(1) and three equivalent Cu(2) atoms to form corner-sharing ICu4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.578
_cell_length_b   4.286
_cell_length_c   7.429
_cell_angle_alpha   54.731
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.987
_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
  Cu  Cu0  1  0.377  0.840  0.724  1.0
  Cu  Cu1  1  0.623  0.840  0.224  1.0
  Cu  Cu2  1  0.870  0.772  0.739  1.0
  Cu  Cu3  1  0.130  0.772  0.239  1.0
  I  I4  1  0.374  0.077  0.978  1.0
  I  I5  1  0.626  0.077  0.478  1.0
  I  I6  1  0.877  0.030  0.986  1.0
  I  I7  1  0.123  0.030  0.486  1.0
[/CIF]
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