The structure described by Co(N2I)3 crystallizes in the cubic Fm-3m space group. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share corners with six equivalent I(1)N6 octahedra and faces with eight equivalent I(2)N12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a distorted linear geometry to one Co(1), one I(1), and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to six equivalent N(1) atoms to form IN6 octahedra that share corners with six equivalent Co(1)N6 octahedra and faces with eight equivalent I(2)N12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second I site, I(2) is bonded to twelve equivalent N(1) atoms to form IN12 cuboctahedra that share corners with twelve equivalent I(2)N12 cuboctahedra, faces with six equivalent I(2)N12 cuboctahedra, faces with four equivalent Co(1)N6 octahedra, and faces with four equivalent I(1)N6 octahedra. is represented by the CIF file [CIF]
data_Co(IN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   5.632
_cell_length_c   5.632
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.339
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  I  I1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.250  0.250  0.250  1.0
  I  I3  1  0.750  0.750  0.750  1.0
  N  N4  1  0.761  0.239  0.239  1.0
  N  N5  1  0.761  0.239  0.761  1.0
  N  N6  1  0.761  0.761  0.239  1.0
  N  N7  1  0.239  0.761  0.761  1.0
  N  N8  1  0.239  0.761  0.239  1.0
  N  N9  1  0.239  0.239  0.761  1.0
[/CIF]
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The structure described by Co(N2I)3 crystallizes in the cubic Fm-3m space group. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share corners with six equivalent I(1)N6 octahedra and faces with eight equivalent I(2)N12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a distorted linear geometry to one Co(1), one I(1), and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to six equivalent N(1) atoms to form IN6 octahedra that share corners with six equivalent Co(1)N6 octahedra and faces with eight equivalent I(2)N12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second I site, I(2) is bonded to twelve equivalent N(1) atoms to form IN12 cuboctahedra that share corners with twelve equivalent I(2)N12 cuboctahedra, faces with six equivalent I(2)N12 cuboctahedra, faces with four equivalent Co(1)N6 octahedra, and faces with four equivalent I(1)N6 octahedra. is represented by the CIF file [CIF]
data_Co(IN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   5.632
_cell_length_c   5.632
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.339
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  I  I1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.250  0.250  0.250  1.0
  I  I3  1  0.750  0.750  0.750  1.0
  N  N4  1  0.761  0.239  0.239  1.0
  N  N5  1  0.761  0.239  0.761  1.0
  N  N6  1  0.761  0.761  0.239  1.0
  N  N7  1  0.239  0.761  0.761  1.0
  N  N8  1  0.239  0.761  0.239  1.0
  N  N9  1  0.239  0.239  0.761  1.0
[/CIF]
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