The material described by N2TeS3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four N2TeS3 clusters. N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. Te(1) is bonded in an L-shaped geometry to two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to one N(1) and one Te(1) atom. In the second S site, S(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. is represented by the CIF file [CIF]
data_TeS3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.115
_cell_length_b   10.278
_cell_length_c   5.799
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.504
_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  0.297  0.750  0.795  1.0
  Te  Te1  1  0.797  0.750  0.705  1.0
  Te  Te2  1  0.703  0.250  0.205  1.0
  Te  Te3  1  0.203  0.250  0.295  1.0
  S  S4  1  0.559  0.750  0.243  1.0
  S  S5  1  0.059  0.750  0.257  1.0
  S  S6  1  0.441  0.250  0.757  1.0
  S  S7  1  0.941  0.250  0.743  1.0
  S  S8  1  0.156  0.576  0.896  1.0
  S  S9  1  0.656  0.924  0.604  1.0
  S  S10  1  0.844  0.076  0.104  1.0
  S  S11  1  0.344  0.424  0.396  1.0
  S  S12  1  0.844  0.424  0.104  1.0
  S  S13  1  0.344  0.076  0.396  1.0
  S  S14  1  0.156  0.924  0.896  1.0
  S  S15  1  0.656  0.576  0.604  1.0
  N  N16  1  0.095  0.615  0.148  1.0
  N  N17  1  0.595  0.885  0.352  1.0
  N  N18  1  0.905  0.115  0.852  1.0
  N  N19  1  0.405  0.385  0.648  1.0
  N  N20  1  0.905  0.385  0.852  1.0
  N  N21  1  0.405  0.115  0.648  1.0
  N  N22  1  0.095  0.885  0.148  1.0
  N  N23  1  0.595  0.615  0.352  1.0
[/CIF]
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The material described by N2TeS3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four N2TeS3 clusters. N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. Te(1) is bonded in an L-shaped geometry to two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to one N(1) and one Te(1) atom. In the second S site, S(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. is represented by the CIF file [CIF]
data_TeS3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.115
_cell_length_b   10.278
_cell_length_c   5.799
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.504
_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  0.297  0.750  0.795  1.0
  Te  Te1  1  0.797  0.750  0.705  1.0
  Te  Te2  1  0.703  0.250  0.205  1.0
  Te  Te3  1  0.203  0.250  0.295  1.0
  S  S4  1  0.559  0.750  0.243  1.0
  S  S5  1  0.059  0.750  0.257  1.0
  S  S6  1  0.441  0.250  0.757  1.0
  S  S7  1  0.941  0.250  0.743  1.0
  S  S8  1  0.156  0.576  0.896  1.0
  S  S9  1  0.656  0.924  0.604  1.0
  S  S10  1  0.844  0.076  0.104  1.0
  S  S11  1  0.344  0.424  0.396  1.0
  S  S12  1  0.844  0.424  0.104  1.0
  S  S13  1  0.344  0.076  0.396  1.0
  S  S14  1  0.156  0.924  0.896  1.0
  S  S15  1  0.656  0.576  0.604  1.0
  N  N16  1  0.095  0.615  0.148  1.0
  N  N17  1  0.595  0.885  0.352  1.0
  N  N18  1  0.905  0.115  0.852  1.0
  N  N19  1  0.405  0.385  0.648  1.0
  N  N20  1  0.905  0.385  0.852  1.0
  N  N21  1  0.405  0.115  0.648  1.0
  N  N22  1  0.095  0.885  0.148  1.0
  N  N23  1  0.595  0.615  0.352  1.0
[/CIF]
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