The crystal structure described by CuI2N6 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded in an octahedral geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one Cu(1) atom. In the second N site, N(1) is bonded in a distorted single-bond geometry to one Cu(1) and four equivalent I(1) atoms. I(1) is bonded in a body-centered cubic geometry to eight equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Cu(IN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   5.119
_cell_angle_alpha   102.010
_cell_angle_beta   113.326
_cell_angle_gamma   113.326
_symmetry_Int_Tables_number   1
_cell_volume   101.944
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  I  I1  1  0.500  0.750  0.250  1.0
  I  I2  1  0.500  0.250  0.750  1.0
  N  N3  1  0.505  0.753  0.753  1.0
  N  N4  1  0.495  0.247  0.247  1.0
  N  N5  1  0.000  0.247  0.753  1.0
  N  N6  1  0.000  0.753  0.247  1.0
  N  N7  1  0.000  0.701  0.701  1.0
  N  N8  1  0.000  0.299  0.299  1.0
[/CIF]
.
The crystal structure described by CuI2N6 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded in an octahedral geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one Cu(1) atom. In the second N site, N(1) is bonded in a distorted single-bond geometry to one Cu(1) and four equivalent I(1) atoms. I(1) is bonded in a body-centered cubic geometry to eight equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Cu(IN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   5.119
_cell_angle_alpha   102.010
_cell_angle_beta   113.326
_cell_angle_gamma   113.326
_symmetry_Int_Tables_number   1
_cell_volume   101.944
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  I  I1  1  0.500  0.750  0.250  1.0
  I  I2  1  0.500  0.250  0.750  1.0
  N  N3  1  0.505  0.753  0.753  1.0
  N  N4  1  0.495  0.247  0.247  1.0
  N  N5  1  0.000  0.247  0.753  1.0
  N  N6  1  0.000  0.753  0.247  1.0
  N  N7  1  0.000  0.701  0.701  1.0
  N  N8  1  0.000  0.299  0.299  1.0
[/CIF]
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