The crystal structure described by Nd2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent Te(3), three equivalent Te(1), and three equivalent Te(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent Te(1), two equivalent Te(2), and three equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing NdTe7 pentagonal bipyramids. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing TeNd5 trigonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Nd(2) and three equivalent Nd(1) atoms. In the third Te site, Te(3) is bonded to two equivalent Nd(1) and three equivalent Nd(2) atoms to form a mixture of corner and edge-sharing TeNd5 square pyramids. is represented by the CIF file [CIF]
data_Nd2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   12.077
_cell_length_c   12.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.232
_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
  Nd  Nd0  1  0.250  0.498  0.696  1.0
  Nd  Nd1  1  0.750  0.502  0.304  1.0
  Nd  Nd2  1  0.750  0.998  0.804  1.0
  Nd  Nd3  1  0.250  0.002  0.196  1.0
  Nd  Nd4  1  0.250  0.188  0.516  1.0
  Nd  Nd5  1  0.750  0.812  0.484  1.0
  Nd  Nd6  1  0.750  0.688  0.984  1.0
  Nd  Nd7  1  0.250  0.312  0.016  1.0
  Te  Te8  1  0.250  0.876  0.957  1.0
  Te  Te9  1  0.750  0.124  0.043  1.0
  Te  Te10  1  0.750  0.376  0.543  1.0
  Te  Te11  1  0.250  0.624  0.457  1.0
  Te  Te12  1  0.250  0.197  0.774  1.0
  Te  Te13  1  0.750  0.803  0.226  1.0
  Te  Te14  1  0.750  0.697  0.726  1.0
  Te  Te15  1  0.250  0.303  0.274  1.0
  Te  Te16  1  0.250  0.557  0.119  1.0
  Te  Te17  1  0.750  0.443  0.881  1.0
  Te  Te18  1  0.750  0.057  0.381  1.0
  Te  Te19  1  0.250  0.943  0.619  1.0
[/CIF]
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The crystal structure described by Nd2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent Te(3), three equivalent Te(1), and three equivalent Te(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent Te(1), two equivalent Te(2), and three equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing NdTe7 pentagonal bipyramids. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing TeNd5 trigonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Nd(2) and three equivalent Nd(1) atoms. In the third Te site, Te(3) is bonded to two equivalent Nd(1) and three equivalent Nd(2) atoms to form a mixture of corner and edge-sharing TeNd5 square pyramids. is represented by the CIF file [CIF]
data_Nd2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   12.077
_cell_length_c   12.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.232
_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
  Nd  Nd0  1  0.250  0.498  0.696  1.0
  Nd  Nd1  1  0.750  0.502  0.304  1.0
  Nd  Nd2  1  0.750  0.998  0.804  1.0
  Nd  Nd3  1  0.250  0.002  0.196  1.0
  Nd  Nd4  1  0.250  0.188  0.516  1.0
  Nd  Nd5  1  0.750  0.812  0.484  1.0
  Nd  Nd6  1  0.750  0.688  0.984  1.0
  Nd  Nd7  1  0.250  0.312  0.016  1.0
  Te  Te8  1  0.250  0.876  0.957  1.0
  Te  Te9  1  0.750  0.124  0.043  1.0
  Te  Te10  1  0.750  0.376  0.543  1.0
  Te  Te11  1  0.250  0.624  0.457  1.0
  Te  Te12  1  0.250  0.197  0.774  1.0
  Te  Te13  1  0.750  0.803  0.226  1.0
  Te  Te14  1  0.750  0.697  0.726  1.0
  Te  Te15  1  0.250  0.303  0.274  1.0
  Te  Te16  1  0.250  0.557  0.119  1.0
  Te  Te17  1  0.750  0.443  0.881  1.0
  Te  Te18  1  0.750  0.057  0.381  1.0
  Te  Te19  1  0.250  0.943  0.619  1.0
[/CIF]
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