The compound described by Ti4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and four equivalent Te(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third Ti site, Ti(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded in a see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ti(3) atoms. is represented by the CIF file [CIF]
data_Ti4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.749
_cell_length_b   10.741
_cell_length_c   9.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.197
_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
  Ti  Ti0  1  0.591  0.250  0.902  1.0
  Ti  Ti1  1  0.091  0.250  0.598  1.0
  Ti  Ti2  1  0.409  0.750  0.098  1.0
  Ti  Ti3  1  0.909  0.750  0.402  1.0
  Ti  Ti4  1  0.793  0.250  0.406  1.0
  Ti  Ti5  1  0.293  0.250  0.094  1.0
  Ti  Ti6  1  0.207  0.750  0.594  1.0
  Ti  Ti7  1  0.707  0.750  0.906  1.0
  Ti  Ti8  1  0.691  0.489  0.056  1.0
  Ti  Ti9  1  0.191  0.011  0.444  1.0
  Ti  Ti10  1  0.309  0.989  0.944  1.0
  Ti  Ti11  1  0.809  0.511  0.556  1.0
  Ti  Ti12  1  0.309  0.511  0.944  1.0
  Ti  Ti13  1  0.809  0.989  0.556  1.0
  Ti  Ti14  1  0.691  0.011  0.056  1.0
  Ti  Ti15  1  0.191  0.489  0.444  1.0
  Te  Te16  1  0.881  0.250  0.130  1.0
  Te  Te17  1  0.381  0.250  0.370  1.0
  Te  Te18  1  0.119  0.750  0.870  1.0
  Te  Te19  1  0.619  0.750  0.630  1.0
  Te  Te20  1  0.579  0.573  0.319  1.0
  Te  Te21  1  0.079  0.927  0.181  1.0
  Te  Te22  1  0.421  0.073  0.681  1.0
  Te  Te23  1  0.921  0.427  0.819  1.0
  Te  Te24  1  0.421  0.427  0.681  1.0
  Te  Te25  1  0.921  0.073  0.819  1.0
  Te  Te26  1  0.579  0.927  0.319  1.0
  Te  Te27  1  0.079  0.573  0.181  1.0
  N  N28  1  0.538  0.621  0.964  1.0
  N  N29  1  0.038  0.879  0.536  1.0
  N  N30  1  0.462  0.121  0.036  1.0
  N  N31  1  0.962  0.379  0.464  1.0
  N  N32  1  0.462  0.379  0.036  1.0
  N  N33  1  0.962  0.121  0.464  1.0
  N  N34  1  0.538  0.879  0.964  1.0
  N  N35  1  0.038  0.621  0.536  1.0
[/CIF]
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The compound described by Ti4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and four equivalent Te(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third Ti site, Ti(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded in a see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ti(3) atoms. is represented by the CIF file [CIF]
data_Ti4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.749
_cell_length_b   10.741
_cell_length_c   9.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.197
_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
  Ti  Ti0  1  0.591  0.250  0.902  1.0
  Ti  Ti1  1  0.091  0.250  0.598  1.0
  Ti  Ti2  1  0.409  0.750  0.098  1.0
  Ti  Ti3  1  0.909  0.750  0.402  1.0
  Ti  Ti4  1  0.793  0.250  0.406  1.0
  Ti  Ti5  1  0.293  0.250  0.094  1.0
  Ti  Ti6  1  0.207  0.750  0.594  1.0
  Ti  Ti7  1  0.707  0.750  0.906  1.0
  Ti  Ti8  1  0.691  0.489  0.056  1.0
  Ti  Ti9  1  0.191  0.011  0.444  1.0
  Ti  Ti10  1  0.309  0.989  0.944  1.0
  Ti  Ti11  1  0.809  0.511  0.556  1.0
  Ti  Ti12  1  0.309  0.511  0.944  1.0
  Ti  Ti13  1  0.809  0.989  0.556  1.0
  Ti  Ti14  1  0.691  0.011  0.056  1.0
  Ti  Ti15  1  0.191  0.489  0.444  1.0
  Te  Te16  1  0.881  0.250  0.130  1.0
  Te  Te17  1  0.381  0.250  0.370  1.0
  Te  Te18  1  0.119  0.750  0.870  1.0
  Te  Te19  1  0.619  0.750  0.630  1.0
  Te  Te20  1  0.579  0.573  0.319  1.0
  Te  Te21  1  0.079  0.927  0.181  1.0
  Te  Te22  1  0.421  0.073  0.681  1.0
  Te  Te23  1  0.921  0.427  0.819  1.0
  Te  Te24  1  0.421  0.427  0.681  1.0
  Te  Te25  1  0.921  0.073  0.819  1.0
  Te  Te26  1  0.579  0.927  0.319  1.0
  Te  Te27  1  0.079  0.573  0.181  1.0
  N  N28  1  0.538  0.621  0.964  1.0
  N  N29  1  0.038  0.879  0.536  1.0
  N  N30  1  0.462  0.121  0.036  1.0
  N  N31  1  0.962  0.379  0.464  1.0
  N  N32  1  0.462  0.379  0.036  1.0
  N  N33  1  0.962  0.121  0.464  1.0
  N  N34  1  0.538  0.879  0.964  1.0
  N  N35  1  0.038  0.621  0.536  1.0
[/CIF]
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