The structure described by TeS2(NCl)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TeS2(NCl)2 clusters. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Te(1) and one S(1) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. Te(1) is bonded to one N(1), one S(2), one Cl(2), and two equivalent Cl(1) atoms to form distorted edge-sharing TeSNCl3 square pyramids. There are two inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to one N(2) and one Te(1) atom. In the second S site, S(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Te(1) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_TeS2(NCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.251
_cell_length_b   11.251
_cell_length_c   7.759
_cell_angle_alpha   83.809
_cell_angle_beta   83.809
_cell_angle_gamma   49.655
_symmetry_Int_Tables_number   1
_cell_volume   743.299
_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
  Te  Te0  1  0.233  0.568  0.700  1.0
  Te  Te1  1  0.432  0.767  0.800  1.0
  Te  Te2  1  0.568  0.233  0.200  1.0
  Te  Te3  1  0.767  0.432  0.300  1.0
  S  S4  1  0.100  0.310  0.177  1.0
  S  S5  1  0.843  0.995  0.129  1.0
  S  S6  1  0.995  0.843  0.629  1.0
  S  S7  1  0.310  0.100  0.677  1.0
  S  S8  1  0.900  0.690  0.823  1.0
  S  S9  1  0.690  0.900  0.323  1.0
  S  S10  1  0.005  0.157  0.371  1.0
  S  S11  1  0.157  0.005  0.871  1.0
  N  N12  1  0.921  0.451  0.171  1.0
  N  N13  1  0.549  0.079  0.329  1.0
  N  N14  1  0.451  0.921  0.671  1.0
  N  N15  1  0.859  0.839  0.718  1.0
  N  N16  1  0.141  0.161  0.282  1.0
  N  N17  1  0.839  0.859  0.218  1.0
  N  N18  1  0.161  0.141  0.782  1.0
  N  N19  1  0.079  0.549  0.829  1.0
  Cl  Cl20  1  0.660  0.272  0.483  1.0
  Cl  Cl21  1  0.222  0.471  0.427  1.0
  Cl  Cl22  1  0.340  0.728  0.517  1.0
  Cl  Cl23  1  0.529  0.778  0.073  1.0
  Cl  Cl24  1  0.272  0.660  0.983  1.0
  Cl  Cl25  1  0.778  0.529  0.573  1.0
  Cl  Cl26  1  0.728  0.340  0.017  1.0
  Cl  Cl27  1  0.471  0.222  0.927  1.0
[/CIF]
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The structure described by TeS2(NCl)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TeS2(NCl)2 clusters. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Te(1) and one S(1) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. Te(1) is bonded to one N(1), one S(2), one Cl(2), and two equivalent Cl(1) atoms to form distorted edge-sharing TeSNCl3 square pyramids. There are two inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to one N(2) and one Te(1) atom. In the second S site, S(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Te(1) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Te(1) atom. is represented by the CIF card [CIF]
data_TeS2(NCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.251
_cell_length_b   11.251
_cell_length_c   7.759
_cell_angle_alpha   83.809
_cell_angle_beta   83.809
_cell_angle_gamma   49.655
_symmetry_Int_Tables_number   1
_cell_volume   743.299
_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
  Te  Te0  1  0.233  0.568  0.700  1.0
  Te  Te1  1  0.432  0.767  0.800  1.0
  Te  Te2  1  0.568  0.233  0.200  1.0
  Te  Te3  1  0.767  0.432  0.300  1.0
  S  S4  1  0.100  0.310  0.177  1.0
  S  S5  1  0.843  0.995  0.129  1.0
  S  S6  1  0.995  0.843  0.629  1.0
  S  S7  1  0.310  0.100  0.677  1.0
  S  S8  1  0.900  0.690  0.823  1.0
  S  S9  1  0.690  0.900  0.323  1.0
  S  S10  1  0.005  0.157  0.371  1.0
  S  S11  1  0.157  0.005  0.871  1.0
  N  N12  1  0.921  0.451  0.171  1.0
  N  N13  1  0.549  0.079  0.329  1.0
  N  N14  1  0.451  0.921  0.671  1.0
  N  N15  1  0.859  0.839  0.718  1.0
  N  N16  1  0.141  0.161  0.282  1.0
  N  N17  1  0.839  0.859  0.218  1.0
  N  N18  1  0.161  0.141  0.782  1.0
  N  N19  1  0.079  0.549  0.829  1.0
  Cl  Cl20  1  0.660  0.272  0.483  1.0
  Cl  Cl21  1  0.222  0.471  0.427  1.0
  Cl  Cl22  1  0.340  0.728  0.517  1.0
  Cl  Cl23  1  0.529  0.778  0.073  1.0
  Cl  Cl24  1  0.272  0.660  0.983  1.0
  Cl  Cl25  1  0.778  0.529  0.573  1.0
  Cl  Cl26  1  0.728  0.340  0.017  1.0
  Cl  Cl27  1  0.471  0.222  0.927  1.0
[/CIF]
.