The compound described by Nb4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to two equivalent N(1) and four equivalent Te(2) atoms. In the second Nb site, Nb(2) is bonded in a 2-coordinate geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. In the third Nb site, Nb(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. N(1) is bonded in a rectangular see-saw-like geometry to one Nb(1), one Nb(2), and two equivalent Nb(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(3) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Nb(2), two equivalent Nb(1), and two equivalent Nb(3) atoms. is represented by the CIF file [CIF]
data_Nb4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   10.504
_cell_length_c   12.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   763.093
_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
  Nb  Nb0  1  0.609  0.250  0.837  1.0
  Nb  Nb1  1  0.109  0.250  0.663  1.0
  Nb  Nb2  1  0.391  0.750  0.163  1.0
  Nb  Nb3  1  0.891  0.750  0.337  1.0
  Nb  Nb4  1  0.660  0.250  0.556  1.0
  Nb  Nb5  1  0.160  0.250  0.944  1.0
  Nb  Nb6  1  0.340  0.750  0.444  1.0
  Nb  Nb7  1  0.840  0.750  0.056  1.0
  Nb  Nb8  1  0.741  0.460  0.012  1.0
  Nb  Nb9  1  0.241  0.040  0.488  1.0
  Nb  Nb10  1  0.259  0.960  0.988  1.0
  Nb  Nb11  1  0.759  0.540  0.512  1.0
  Nb  Nb12  1  0.259  0.540  0.988  1.0
  Nb  Nb13  1  0.759  0.960  0.512  1.0
  Nb  Nb14  1  0.741  0.040  0.012  1.0
  Nb  Nb15  1  0.241  0.460  0.488  1.0
  Te  Te16  1  0.872  0.250  0.133  1.0
  Te  Te17  1  0.372  0.250  0.367  1.0
  Te  Te18  1  0.128  0.750  0.867  1.0
  Te  Te19  1  0.628  0.750  0.633  1.0
  Te  Te20  1  0.538  0.553  0.316  1.0
  Te  Te21  1  0.038  0.947  0.184  1.0
  Te  Te22  1  0.462  0.053  0.684  1.0
  Te  Te23  1  0.962  0.447  0.816  1.0
  Te  Te24  1  0.462  0.447  0.684  1.0
  Te  Te25  1  0.962  0.053  0.816  1.0
  Te  Te26  1  0.538  0.947  0.316  1.0
  Te  Te27  1  0.038  0.553  0.184  1.0
  N  N28  1  0.554  0.620  0.055  1.0
  N  N29  1  0.054  0.880  0.445  1.0
  N  N30  1  0.446  0.120  0.945  1.0
  N  N31  1  0.946  0.380  0.555  1.0
  N  N32  1  0.446  0.380  0.945  1.0
  N  N33  1  0.946  0.120  0.555  1.0
  N  N34  1  0.554  0.880  0.055  1.0
  N  N35  1  0.054  0.620  0.445  1.0
[/CIF]
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The compound described by Nb4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to two equivalent N(1) and four equivalent Te(2) atoms. In the second Nb site, Nb(2) is bonded in a 2-coordinate geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. In the third Nb site, Nb(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. N(1) is bonded in a rectangular see-saw-like geometry to one Nb(1), one Nb(2), and two equivalent Nb(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(3) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Nb(2), two equivalent Nb(1), and two equivalent Nb(3) atoms. is represented by the CIF file [CIF]
data_Nb4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   10.504
_cell_length_c   12.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   763.093
_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
  Nb  Nb0  1  0.609  0.250  0.837  1.0
  Nb  Nb1  1  0.109  0.250  0.663  1.0
  Nb  Nb2  1  0.391  0.750  0.163  1.0
  Nb  Nb3  1  0.891  0.750  0.337  1.0
  Nb  Nb4  1  0.660  0.250  0.556  1.0
  Nb  Nb5  1  0.160  0.250  0.944  1.0
  Nb  Nb6  1  0.340  0.750  0.444  1.0
  Nb  Nb7  1  0.840  0.750  0.056  1.0
  Nb  Nb8  1  0.741  0.460  0.012  1.0
  Nb  Nb9  1  0.241  0.040  0.488  1.0
  Nb  Nb10  1  0.259  0.960  0.988  1.0
  Nb  Nb11  1  0.759  0.540  0.512  1.0
  Nb  Nb12  1  0.259  0.540  0.988  1.0
  Nb  Nb13  1  0.759  0.960  0.512  1.0
  Nb  Nb14  1  0.741  0.040  0.012  1.0
  Nb  Nb15  1  0.241  0.460  0.488  1.0
  Te  Te16  1  0.872  0.250  0.133  1.0
  Te  Te17  1  0.372  0.250  0.367  1.0
  Te  Te18  1  0.128  0.750  0.867  1.0
  Te  Te19  1  0.628  0.750  0.633  1.0
  Te  Te20  1  0.538  0.553  0.316  1.0
  Te  Te21  1  0.038  0.947  0.184  1.0
  Te  Te22  1  0.462  0.053  0.684  1.0
  Te  Te23  1  0.962  0.447  0.816  1.0
  Te  Te24  1  0.462  0.447  0.684  1.0
  Te  Te25  1  0.962  0.053  0.816  1.0
  Te  Te26  1  0.538  0.947  0.316  1.0
  Te  Te27  1  0.038  0.553  0.184  1.0
  N  N28  1  0.554  0.620  0.055  1.0
  N  N29  1  0.054  0.880  0.445  1.0
  N  N30  1  0.446  0.120  0.945  1.0
  N  N31  1  0.946  0.380  0.555  1.0
  N  N32  1  0.446  0.380  0.945  1.0
  N  N33  1  0.946  0.120  0.555  1.0
  N  N34  1  0.554  0.880  0.055  1.0
  N  N35  1  0.054  0.620  0.445  1.0
[/CIF]
.