The material described by Y3NTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), one Te(3), and two equivalent Te(2) atoms. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one N(1), one Te(2), two equivalent Te(1), and two equivalent Te(3) atoms. In the third Y site, Y(3) is bonded in a distorted single-bond geometry to one N(1), one Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. N(1) is bonded to one Y(2), one Y(3), and two equivalent Y(1) atoms to form edge-sharing NY4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(3), and two equivalent Y(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), and two equivalent Y(3) atoms. In the third Te site, Te(3) is bonded in a distorted pentagonal planar geometry to one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Te3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.981
_cell_length_b   8.128
_cell_length_c   8.659
_cell_angle_alpha   71.350
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   798.963
_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
  Y  Y0  1  0.024  0.602  0.138  1.0
  Y  Y1  1  0.524  0.398  0.362  1.0
  Y  Y2  1  0.976  0.398  0.862  1.0
  Y  Y3  1  0.476  0.602  0.638  1.0
  Y  Y4  1  0.412  0.838  0.205  1.0
  Y  Y5  1  0.912  0.162  0.295  1.0
  Y  Y6  1  0.588  0.162  0.795  1.0
  Y  Y7  1  0.088  0.838  0.705  1.0
  Y  Y8  1  0.709  0.766  0.347  1.0
  Y  Y9  1  0.209  0.234  0.153  1.0
  Y  Y10  1  0.291  0.234  0.653  1.0
  Y  Y11  1  0.791  0.766  0.847  1.0
  Te  Te12  1  0.979  0.778  0.413  1.0
  Te  Te13  1  0.479  0.222  0.087  1.0
  Te  Te14  1  0.021  0.222  0.587  1.0
  Te  Te15  1  0.521  0.778  0.913  1.0
  Te  Te16  1  0.267  0.508  0.312  1.0
  Te  Te17  1  0.767  0.492  0.188  1.0
  Te  Te18  1  0.733  0.492  0.688  1.0
  Te  Te19  1  0.233  0.508  0.812  1.0
  Te  Te20  1  0.306  0.954  0.482  1.0
  Te  Te21  1  0.806  0.046  0.018  1.0
  Te  Te22  1  0.694  0.046  0.518  1.0
  Te  Te23  1  0.194  0.954  0.982  1.0
  N  N24  1  0.535  0.673  0.377  1.0
  N  N25  1  0.035  0.327  0.123  1.0
  N  N26  1  0.465  0.327  0.623  1.0
  N  N27  1  0.965  0.673  0.877  1.0
[/CIF]
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The material described by Y3NTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), one Te(3), and two equivalent Te(2) atoms. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one N(1), one Te(2), two equivalent Te(1), and two equivalent Te(3) atoms. In the third Y site, Y(3) is bonded in a distorted single-bond geometry to one N(1), one Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. N(1) is bonded to one Y(2), one Y(3), and two equivalent Y(1) atoms to form edge-sharing NY4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(3), and two equivalent Y(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), and two equivalent Y(3) atoms. In the third Te site, Te(3) is bonded in a distorted pentagonal planar geometry to one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Te3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.981
_cell_length_b   8.128
_cell_length_c   8.659
_cell_angle_alpha   71.350
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   798.963
_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
  Y  Y0  1  0.024  0.602  0.138  1.0
  Y  Y1  1  0.524  0.398  0.362  1.0
  Y  Y2  1  0.976  0.398  0.862  1.0
  Y  Y3  1  0.476  0.602  0.638  1.0
  Y  Y4  1  0.412  0.838  0.205  1.0
  Y  Y5  1  0.912  0.162  0.295  1.0
  Y  Y6  1  0.588  0.162  0.795  1.0
  Y  Y7  1  0.088  0.838  0.705  1.0
  Y  Y8  1  0.709  0.766  0.347  1.0
  Y  Y9  1  0.209  0.234  0.153  1.0
  Y  Y10  1  0.291  0.234  0.653  1.0
  Y  Y11  1  0.791  0.766  0.847  1.0
  Te  Te12  1  0.979  0.778  0.413  1.0
  Te  Te13  1  0.479  0.222  0.087  1.0
  Te  Te14  1  0.021  0.222  0.587  1.0
  Te  Te15  1  0.521  0.778  0.913  1.0
  Te  Te16  1  0.267  0.508  0.312  1.0
  Te  Te17  1  0.767  0.492  0.188  1.0
  Te  Te18  1  0.733  0.492  0.688  1.0
  Te  Te19  1  0.233  0.508  0.812  1.0
  Te  Te20  1  0.306  0.954  0.482  1.0
  Te  Te21  1  0.806  0.046  0.018  1.0
  Te  Te22  1  0.694  0.046  0.518  1.0
  Te  Te23  1  0.194  0.954  0.982  1.0
  N  N24  1  0.535  0.673  0.377  1.0
  N  N25  1  0.035  0.327  0.123  1.0
  N  N26  1  0.465  0.327  0.623  1.0
  N  N27  1  0.965  0.673  0.877  1.0
[/CIF]
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