The crystal structure described by NiI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. Ni(1) is bonded to four equivalent I(1) atoms to form corner-sharing NiI4 tetrahedra. I(1) is bonded to four equivalent Ni(1) atoms to form corner-sharing INi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.056
_cell_length_b   4.056
_cell_length_c   6.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.891
_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
  Ni  Ni0  1  0.667  0.333  0.870  1.0
  Ni  Ni1  1  0.333  0.667  0.370  1.0
  I  I2  1  0.667  0.333  0.505  1.0
  I  I3  1  0.333  0.667  0.005  1.0
[/CIF]
.
The crystal structure described by NiI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. Ni(1) is bonded to four equivalent I(1) atoms to form corner-sharing NiI4 tetrahedra. I(1) is bonded to four equivalent Ni(1) atoms to form corner-sharing INi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.056
_cell_length_b   4.056
_cell_length_c   6.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.891
_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
  Ni  Ni0  1  0.667  0.333  0.870  1.0
  Ni  Ni1  1  0.333  0.667  0.370  1.0
  I  I2  1  0.667  0.333  0.505  1.0
  I  I3  1  0.333  0.667  0.005  1.0
[/CIF]
.