The material described by Zn2NI crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) and three equivalent I(1) atoms. In the second Zn site, Zn(2) is bonded in a linear geometry to two equivalent N(1) and two equivalent I(1) atoms. N(1) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form corner-sharing NZn4 tetrahedra. I(1) is bonded in a 5-coordinate geometry to two equivalent Zn(2) and three equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2IN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.265
_cell_length_b   6.382
_cell_length_c   7.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.847
_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
  Zn  Zn0  1  0.250  0.652  0.697  1.0
  Zn  Zn1  1  0.250  0.152  0.803  1.0
  Zn  Zn2  1  0.750  0.348  0.303  1.0
  Zn  Zn3  1  0.750  0.848  0.197  1.0
  Zn  Zn4  1  0.000  0.000  0.500  1.0
  Zn  Zn5  1  0.500  0.500  0.000  1.0
  Zn  Zn6  1  0.500  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.500  0.000  1.0
  I  I8  1  0.250  0.417  0.381  1.0
  I  I9  1  0.250  0.917  0.119  1.0
  I  I10  1  0.750  0.583  0.619  1.0
  I  I11  1  0.750  0.083  0.881  1.0
  N  N12  1  0.250  0.441  0.873  1.0
  N  N13  1  0.250  0.941  0.627  1.0
  N  N14  1  0.750  0.559  0.127  1.0
  N  N15  1  0.750  0.059  0.373  1.0
[/CIF]
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The material described by Zn2NI crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) and three equivalent I(1) atoms. In the second Zn site, Zn(2) is bonded in a linear geometry to two equivalent N(1) and two equivalent I(1) atoms. N(1) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form corner-sharing NZn4 tetrahedra. I(1) is bonded in a 5-coordinate geometry to two equivalent Zn(2) and three equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2IN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.265
_cell_length_b   6.382
_cell_length_c   7.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.847
_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
  Zn  Zn0  1  0.250  0.652  0.697  1.0
  Zn  Zn1  1  0.250  0.152  0.803  1.0
  Zn  Zn2  1  0.750  0.348  0.303  1.0
  Zn  Zn3  1  0.750  0.848  0.197  1.0
  Zn  Zn4  1  0.000  0.000  0.500  1.0
  Zn  Zn5  1  0.500  0.500  0.000  1.0
  Zn  Zn6  1  0.500  0.000  0.500  1.0
  Zn  Zn7  1  0.000  0.500  0.000  1.0
  I  I8  1  0.250  0.417  0.381  1.0
  I  I9  1  0.250  0.917  0.119  1.0
  I  I10  1  0.750  0.583  0.619  1.0
  I  I11  1  0.750  0.083  0.881  1.0
  N  N12  1  0.250  0.441  0.873  1.0
  N  N13  1  0.250  0.941  0.627  1.0
  N  N14  1  0.750  0.559  0.127  1.0
  N  N15  1  0.750  0.059  0.373  1.0
[/CIF]
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