The material described by Nd4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(2), and three equivalent Te(1) atoms. In the second Nd site, Nd(2) is bonded in a 2-coordinate geometry to two equivalent N(1) and four equivalent Te(1) atoms. In the third Nd site, Nd(3) is bonded in a 2-coordinate geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. N(1) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form NNd4 tetrahedra that share corners with four equivalent Te(2)Nd6 octahedra,  an edgeedge with one Te(2)Nd6 octahedra, and edges with two equivalent N(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-68°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Nd(3), two equivalent Nd(2), and three equivalent Nd(1) atoms. In the second Te site, Te(2) is bonded to two equivalent Nd(3) and four equivalent Nd(1) atoms to form TeNd6 octahedra that share corners with eight equivalent N(1)Nd4 tetrahedra, edges with two equivalent N(1)Nd4 tetrahedra, and faces with two equivalent Te(2)Nd6 octahedra. is represented by the CIF card [CIF]
data_Nd4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.414
_cell_length_b   11.413
_cell_length_c   11.796
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   998.087
_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  0.146  0.391  0.951  1.0
  Nd  Nd1  1  0.408  0.158  0.250  1.0
  Nd  Nd2  1  0.354  0.891  0.049  1.0
  Nd  Nd3  1  0.731  0.468  0.750  1.0
  Nd  Nd4  1  0.854  0.609  0.451  1.0
  Nd  Nd5  1  0.769  0.968  0.250  1.0
  Nd  Nd6  1  0.269  0.532  0.250  1.0
  Nd  Nd7  1  0.146  0.391  0.549  1.0
  Nd  Nd8  1  0.354  0.891  0.451  1.0
  Nd  Nd9  1  0.092  0.658  0.750  1.0
  Nd  Nd10  1  0.908  0.342  0.250  1.0
  Nd  Nd11  1  0.231  0.032  0.750  1.0
  Nd  Nd12  1  0.646  0.109  0.549  1.0
  Nd  Nd13  1  0.592  0.842  0.750  1.0
  Nd  Nd14  1  0.854  0.609  0.049  1.0
  Nd  Nd15  1  0.646  0.109  0.951  1.0
  Te  Te16  1  0.064  0.137  0.080  1.0
  Te  Te17  1  0.084  0.776  0.250  1.0
  Te  Te18  1  0.564  0.363  0.080  1.0
  Te  Te19  1  0.584  0.724  0.250  1.0
  Te  Te20  1  0.936  0.863  0.920  1.0
  Te  Te21  1  0.436  0.637  0.920  1.0
  Te  Te22  1  0.916  0.224  0.750  1.0
  Te  Te23  1  0.936  0.863  0.580  1.0
  Te  Te24  1  0.064  0.137  0.420  1.0
  Te  Te25  1  0.436  0.637  0.580  1.0
  Te  Te26  1  0.564  0.363  0.420  1.0
  Te  Te27  1  0.416  0.276  0.750  1.0
  N  N28  1  0.448  0.968  0.622  1.0
  N  N29  1  0.552  0.032  0.122  1.0
  N  N30  1  0.948  0.532  0.622  1.0
  N  N31  1  0.052  0.468  0.378  1.0
  N  N32  1  0.948  0.532  0.878  1.0
  N  N33  1  0.052  0.468  0.122  1.0
  N  N34  1  0.552  0.032  0.378  1.0
  N  N35  1  0.448  0.968  0.878  1.0
[/CIF]
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The material described by Nd4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(2), and three equivalent Te(1) atoms. In the second Nd site, Nd(2) is bonded in a 2-coordinate geometry to two equivalent N(1) and four equivalent Te(1) atoms. In the third Nd site, Nd(3) is bonded in a 2-coordinate geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. N(1) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form NNd4 tetrahedra that share corners with four equivalent Te(2)Nd6 octahedra,  an edgeedge with one Te(2)Nd6 octahedra, and edges with two equivalent N(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-68°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Nd(3), two equivalent Nd(2), and three equivalent Nd(1) atoms. In the second Te site, Te(2) is bonded to two equivalent Nd(3) and four equivalent Nd(1) atoms to form TeNd6 octahedra that share corners with eight equivalent N(1)Nd4 tetrahedra, edges with two equivalent N(1)Nd4 tetrahedra, and faces with two equivalent Te(2)Nd6 octahedra. is represented by the CIF card [CIF]
data_Nd4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.414
_cell_length_b   11.413
_cell_length_c   11.796
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   998.087
_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  0.146  0.391  0.951  1.0
  Nd  Nd1  1  0.408  0.158  0.250  1.0
  Nd  Nd2  1  0.354  0.891  0.049  1.0
  Nd  Nd3  1  0.731  0.468  0.750  1.0
  Nd  Nd4  1  0.854  0.609  0.451  1.0
  Nd  Nd5  1  0.769  0.968  0.250  1.0
  Nd  Nd6  1  0.269  0.532  0.250  1.0
  Nd  Nd7  1  0.146  0.391  0.549  1.0
  Nd  Nd8  1  0.354  0.891  0.451  1.0
  Nd  Nd9  1  0.092  0.658  0.750  1.0
  Nd  Nd10  1  0.908  0.342  0.250  1.0
  Nd  Nd11  1  0.231  0.032  0.750  1.0
  Nd  Nd12  1  0.646  0.109  0.549  1.0
  Nd  Nd13  1  0.592  0.842  0.750  1.0
  Nd  Nd14  1  0.854  0.609  0.049  1.0
  Nd  Nd15  1  0.646  0.109  0.951  1.0
  Te  Te16  1  0.064  0.137  0.080  1.0
  Te  Te17  1  0.084  0.776  0.250  1.0
  Te  Te18  1  0.564  0.363  0.080  1.0
  Te  Te19  1  0.584  0.724  0.250  1.0
  Te  Te20  1  0.936  0.863  0.920  1.0
  Te  Te21  1  0.436  0.637  0.920  1.0
  Te  Te22  1  0.916  0.224  0.750  1.0
  Te  Te23  1  0.936  0.863  0.580  1.0
  Te  Te24  1  0.064  0.137  0.420  1.0
  Te  Te25  1  0.436  0.637  0.580  1.0
  Te  Te26  1  0.564  0.363  0.420  1.0
  Te  Te27  1  0.416  0.276  0.750  1.0
  N  N28  1  0.448  0.968  0.622  1.0
  N  N29  1  0.552  0.032  0.122  1.0
  N  N30  1  0.948  0.532  0.622  1.0
  N  N31  1  0.052  0.468  0.378  1.0
  N  N32  1  0.948  0.532  0.878  1.0
  N  N33  1  0.052  0.468  0.122  1.0
  N  N34  1  0.552  0.032  0.378  1.0
  N  N35  1  0.448  0.968  0.878  1.0
[/CIF]
.