The material described by ZnI2 crystallizes in the monoclinic C2/c space group. The structure consists of a ZnI2 framework. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one I(2), one I(4), one I(6), and one I(8) atom to form corner-sharing ZnI4 tetrahedra. In the second Zn site, Zn(2) is bonded to one I(1), one I(3), one I(5), and one I(8) atom to form corner-sharing ZnI4 tetrahedra. In the third Zn site, Zn(3) is bonded to one I(3), one I(4), one I(5), and one I(7) atom to form corner-sharing ZnI4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one I(1), one I(2), one I(6), and one I(7) atom to form corner-sharing ZnI4 tetrahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Zn(2) and one Zn(4) atom. In the second I site, I(3) is bonded in a water-like geometry to one Zn(2) and one Zn(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Zn(1) and one Zn(4) atom. In the fourth I site, I(4) is bonded in a water-like geometry to one Zn(1) and one Zn(3) atom. In the fifth I site, I(5) is bonded in a water-like geometry to one Zn(2) and one Zn(3) atom. In the sixth I site, I(6) is bonded in a water-like geometry to one Zn(1) and one Zn(4) atom. In the seventh I site, I(7) is bonded in a water-like geometry to one Zn(3) and one Zn(4) atom. In the eighth I site, I(8) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. is represented by the CIF file [CIF]
data_ZnI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.984
_cell_length_b   12.983
_cell_length_c   14.694
_cell_angle_alpha   116.128
_cell_angle_beta   116.124
_cell_angle_gamma   90.086
_symmetry_Int_Tables_number   1
_cell_volume   1937.108
_cell_formula_units_Z   16
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
  Zn  Zn0  1  0.314  0.787  0.878  1.0
  Zn  Zn1  1  0.909  0.937  0.623  1.0
  Zn  Zn2  1  0.713  0.186  0.623  1.0
  Zn  Zn3  1  0.936  0.713  0.123  1.0
  Zn  Zn4  1  0.186  0.909  0.122  1.0
  Zn  Zn5  1  0.591  0.314  0.378  1.0
  Zn  Zn6  1  0.787  0.564  0.377  1.0
  Zn  Zn7  1  0.564  0.591  0.877  1.0
  Zn  Zn8  1  0.686  0.213  0.122  1.0
  Zn  Zn9  1  0.091  0.063  0.377  1.0
  Zn  Zn10  1  0.287  0.814  0.377  1.0
  Zn  Zn11  1  0.064  0.287  0.877  1.0
  Zn  Zn12  1  0.814  0.091  0.878  1.0
  Zn  Zn13  1  0.409  0.686  0.622  1.0
  Zn  Zn14  1  0.213  0.436  0.623  1.0
  Zn  Zn15  1  0.437  0.409  0.123  1.0
  I  I16  1  0.152  0.110  0.250  1.0
  I  I17  1  0.640  0.151  0.750  1.0
  I  I18  1  0.110  0.099  0.750  1.0
  I  I19  1  0.401  0.390  0.750  1.0
  I  I20  1  0.349  0.860  0.750  1.0
  I  I21  1  0.860  0.402  0.249  1.0
  I  I22  1  0.390  0.348  0.250  1.0
  I  I23  1  0.098  0.640  0.251  1.0
  I  I24  1  0.848  0.890  0.750  1.0
  I  I25  1  0.360  0.849  0.250  1.0
  I  I26  1  0.890  0.901  0.250  1.0
  I  I27  1  0.599  0.610  0.249  1.0
  I  I28  1  0.651  0.140  0.250  1.0
  I  I29  1  0.140  0.598  0.751  1.0
  I  I30  1  0.610  0.652  0.750  1.0
  I  I31  1  0.902  0.360  0.750  1.0
  I  I32  1  0.035  0.250  0.500  1.0
  I  I33  1  0.750  0.035  0.000  1.0
  I  I34  1  0.250  0.465  0.000  1.0
  I  I35  1  0.465  0.750  0.500  1.0
  I  I36  1  0.965  0.750  0.500  1.0
  I  I37  1  0.250  0.965  1.000  1.0
  I  I38  1  0.750  0.535  0.000  1.0
  I  I39  1  0.535  0.250  0.500  1.0
  I  I40  1  0.759  0.509  0.518  1.0
  I  I41  1  0.509  0.759  0.019  1.0
  I  I42  1  0.741  0.991  0.482  1.0
  I  I43  1  0.991  0.741  0.981  1.0
  I  I44  1  0.241  0.491  0.481  1.0
  I  I45  1  0.490  0.241  0.981  1.0
  I  I46  1  0.259  0.009  0.518  1.0
  I  I47  1  0.009  0.259  0.019  1.0
[/CIF]
.
The material described by ZnI2 crystallizes in the monoclinic C2/c space group. The structure consists of a ZnI2 framework. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one I(2), one I(4), one I(6), and one I(8) atom to form corner-sharing ZnI4 tetrahedra. In the second Zn site, Zn(2) is bonded to one I(1), one I(3), one I(5), and one I(8) atom to form corner-sharing ZnI4 tetrahedra. In the third Zn site, Zn(3) is bonded to one I(3), one I(4), one I(5), and one I(7) atom to form corner-sharing ZnI4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one I(1), one I(2), one I(6), and one I(7) atom to form corner-sharing ZnI4 tetrahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Zn(2) and one Zn(4) atom. In the second I site, I(3) is bonded in a water-like geometry to one Zn(2) and one Zn(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Zn(1) and one Zn(4) atom. In the fourth I site, I(4) is bonded in a water-like geometry to one Zn(1) and one Zn(3) atom. In the fifth I site, I(5) is bonded in a water-like geometry to one Zn(2) and one Zn(3) atom. In the sixth I site, I(6) is bonded in a water-like geometry to one Zn(1) and one Zn(4) atom. In the seventh I site, I(7) is bonded in a water-like geometry to one Zn(3) and one Zn(4) atom. In the eighth I site, I(8) is bonded in a water-like geometry to one Zn(1) and one Zn(2) atom. is represented by the CIF file [CIF]
data_ZnI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.984
_cell_length_b   12.983
_cell_length_c   14.694
_cell_angle_alpha   116.128
_cell_angle_beta   116.124
_cell_angle_gamma   90.086
_symmetry_Int_Tables_number   1
_cell_volume   1937.108
_cell_formula_units_Z   16
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
  Zn  Zn0  1  0.314  0.787  0.878  1.0
  Zn  Zn1  1  0.909  0.937  0.623  1.0
  Zn  Zn2  1  0.713  0.186  0.623  1.0
  Zn  Zn3  1  0.936  0.713  0.123  1.0
  Zn  Zn4  1  0.186  0.909  0.122  1.0
  Zn  Zn5  1  0.591  0.314  0.378  1.0
  Zn  Zn6  1  0.787  0.564  0.377  1.0
  Zn  Zn7  1  0.564  0.591  0.877  1.0
  Zn  Zn8  1  0.686  0.213  0.122  1.0
  Zn  Zn9  1  0.091  0.063  0.377  1.0
  Zn  Zn10  1  0.287  0.814  0.377  1.0
  Zn  Zn11  1  0.064  0.287  0.877  1.0
  Zn  Zn12  1  0.814  0.091  0.878  1.0
  Zn  Zn13  1  0.409  0.686  0.622  1.0
  Zn  Zn14  1  0.213  0.436  0.623  1.0
  Zn  Zn15  1  0.437  0.409  0.123  1.0
  I  I16  1  0.152  0.110  0.250  1.0
  I  I17  1  0.640  0.151  0.750  1.0
  I  I18  1  0.110  0.099  0.750  1.0
  I  I19  1  0.401  0.390  0.750  1.0
  I  I20  1  0.349  0.860  0.750  1.0
  I  I21  1  0.860  0.402  0.249  1.0
  I  I22  1  0.390  0.348  0.250  1.0
  I  I23  1  0.098  0.640  0.251  1.0
  I  I24  1  0.848  0.890  0.750  1.0
  I  I25  1  0.360  0.849  0.250  1.0
  I  I26  1  0.890  0.901  0.250  1.0
  I  I27  1  0.599  0.610  0.249  1.0
  I  I28  1  0.651  0.140  0.250  1.0
  I  I29  1  0.140  0.598  0.751  1.0
  I  I30  1  0.610  0.652  0.750  1.0
  I  I31  1  0.902  0.360  0.750  1.0
  I  I32  1  0.035  0.250  0.500  1.0
  I  I33  1  0.750  0.035  0.000  1.0
  I  I34  1  0.250  0.465  0.000  1.0
  I  I35  1  0.465  0.750  0.500  1.0
  I  I36  1  0.965  0.750  0.500  1.0
  I  I37  1  0.250  0.965  1.000  1.0
  I  I38  1  0.750  0.535  0.000  1.0
  I  I39  1  0.535  0.250  0.500  1.0
  I  I40  1  0.759  0.509  0.518  1.0
  I  I41  1  0.509  0.759  0.019  1.0
  I  I42  1  0.741  0.991  0.482  1.0
  I  I43  1  0.991  0.741  0.981  1.0
  I  I44  1  0.241  0.491  0.481  1.0
  I  I45  1  0.490  0.241  0.981  1.0
  I  I46  1  0.259  0.009  0.518  1.0
  I  I47  1  0.009  0.259  0.019  1.0
[/CIF]
.