The structure described by CuTl2(NI2)4 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CuTl2(NI2)4 clusters. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent N(2) and two equivalent I(4) atoms. Tl(1) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one N(2) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one N(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Tl(1) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Tl(1) atom. In the fourth I site, I(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Tl2Cu(I2N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.614
_cell_length_b   7.663
_cell_length_c   11.159
_cell_angle_alpha   70.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1181.586
_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
  Tl  Tl0  1  0.313  0.317  0.000  1.0
  Tl  Tl1  1  0.187  0.817  0.500  1.0
  Tl  Tl2  1  0.687  0.683  1.000  1.0
  Tl  Tl3  1  0.813  0.183  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  I  I6  1  0.368  0.682  0.967  1.0
  I  I7  1  0.132  0.182  0.467  1.0
  I  I8  1  0.632  0.318  0.033  1.0
  I  I9  1  0.868  0.818  0.533  1.0
  I  I10  1  0.348  0.202  0.784  1.0
  I  I11  1  0.152  0.702  0.284  1.0
  I  I12  1  0.652  0.798  0.216  1.0
  I  I13  1  0.848  0.298  0.716  1.0
  I  I14  1  0.378  0.067  0.229  1.0
  I  I15  1  0.122  0.567  0.729  1.0
  I  I16  1  0.622  0.933  0.771  1.0
  I  I17  1  0.878  0.433  0.271  1.0
  I  I18  1  0.108  0.276  0.050  1.0
  I  I19  1  0.392  0.776  0.550  1.0
  I  I20  1  0.892  0.724  0.950  1.0
  I  I21  1  0.608  0.224  0.450  1.0
  N  N22  1  0.844  0.079  0.147  1.0
  N  N23  1  0.656  0.579  0.647  1.0
  N  N24  1  0.156  0.921  0.853  1.0
  N  N25  1  0.344  0.421  0.353  1.0
  N  N26  1  0.093  0.972  0.887  1.0
  N  N27  1  0.407  0.472  0.387  1.0
  N  N28  1  0.907  0.028  0.113  1.0
  N  N29  1  0.593  0.528  0.613  1.0
[/CIF]
.
The structure described by CuTl2(NI2)4 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CuTl2(NI2)4 clusters. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent N(2) and two equivalent I(4) atoms. Tl(1) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one N(2) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one N(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Tl(1) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Tl(1) atom. In the fourth I site, I(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Tl2Cu(I2N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.614
_cell_length_b   7.663
_cell_length_c   11.159
_cell_angle_alpha   70.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1181.586
_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
  Tl  Tl0  1  0.313  0.317  0.000  1.0
  Tl  Tl1  1  0.187  0.817  0.500  1.0
  Tl  Tl2  1  0.687  0.683  1.000  1.0
  Tl  Tl3  1  0.813  0.183  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  I  I6  1  0.368  0.682  0.967  1.0
  I  I7  1  0.132  0.182  0.467  1.0
  I  I8  1  0.632  0.318  0.033  1.0
  I  I9  1  0.868  0.818  0.533  1.0
  I  I10  1  0.348  0.202  0.784  1.0
  I  I11  1  0.152  0.702  0.284  1.0
  I  I12  1  0.652  0.798  0.216  1.0
  I  I13  1  0.848  0.298  0.716  1.0
  I  I14  1  0.378  0.067  0.229  1.0
  I  I15  1  0.122  0.567  0.729  1.0
  I  I16  1  0.622  0.933  0.771  1.0
  I  I17  1  0.878  0.433  0.271  1.0
  I  I18  1  0.108  0.276  0.050  1.0
  I  I19  1  0.392  0.776  0.550  1.0
  I  I20  1  0.892  0.724  0.950  1.0
  I  I21  1  0.608  0.224  0.450  1.0
  N  N22  1  0.844  0.079  0.147  1.0
  N  N23  1  0.656  0.579  0.647  1.0
  N  N24  1  0.156  0.921  0.853  1.0
  N  N25  1  0.344  0.421  0.353  1.0
  N  N26  1  0.093  0.972  0.887  1.0
  N  N27  1  0.407  0.472  0.387  1.0
  N  N28  1  0.907  0.028  0.113  1.0
  N  N29  1  0.593  0.528  0.613  1.0
[/CIF]
.