The material structure described by Tb2N3 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TbN6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Tb site, Tb(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TbN6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. N(1) is bonded to one Tb(1) and three equivalent Tb(2) atoms to form a mixture of corner and edge-sharing NTb4 tetrahedra. is represented by the CIF card [CIF]
data_Tb2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.555
_cell_length_b   9.555
_cell_length_c   9.555
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   671.470
_cell_formula_units_Z   8
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
  Tb  Tb0  1  0.500  0.000  0.500  1.0
  Tb  Tb1  1  0.500  0.500  0.000  1.0
  Tb  Tb2  1  0.000  0.500  0.500  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  Tb  Tb4  1  0.780  0.250  0.030  1.0
  Tb  Tb5  1  0.720  0.750  0.470  1.0
  Tb  Tb6  1  0.250  0.030  0.780  1.0
  Tb  Tb7  1  0.750  0.470  0.720  1.0
  Tb  Tb8  1  0.030  0.780  0.250  1.0
  Tb  Tb9  1  0.470  0.720  0.750  1.0
  Tb  Tb10  1  0.220  0.750  0.970  1.0
  Tb  Tb11  1  0.280  0.250  0.530  1.0
  Tb  Tb12  1  0.750  0.970  0.220  1.0
  Tb  Tb13  1  0.250  0.530  0.280  1.0
  Tb  Tb14  1  0.970  0.220  0.750  1.0
  Tb  Tb15  1  0.530  0.280  0.250  1.0
  N  N16  1  0.490  0.230  0.463  1.0
  N  N17  1  0.233  0.270  0.760  1.0
  N  N18  1  0.010  0.473  0.740  1.0
  N  N19  1  0.267  0.027  0.037  1.0
  N  N20  1  0.230  0.463  0.490  1.0
  N  N21  1  0.270  0.760  0.233  1.0
  N  N22  1  0.473  0.740  0.010  1.0
  N  N23  1  0.027  0.037  0.267  1.0
  N  N24  1  0.463  0.490  0.230  1.0
  N  N25  1  0.760  0.233  0.270  1.0
  N  N26  1  0.740  0.010  0.473  1.0
  N  N27  1  0.037  0.267  0.027  1.0
  N  N28  1  0.510  0.770  0.537  1.0
  N  N29  1  0.767  0.730  0.240  1.0
  N  N30  1  0.990  0.527  0.260  1.0
  N  N31  1  0.733  0.973  0.963  1.0
  N  N32  1  0.770  0.537  0.510  1.0
  N  N33  1  0.730  0.240  0.767  1.0
  N  N34  1  0.527  0.260  0.990  1.0
  N  N35  1  0.973  0.963  0.733  1.0
  N  N36  1  0.537  0.510  0.770  1.0
  N  N37  1  0.240  0.767  0.730  1.0
  N  N38  1  0.260  0.990  0.527  1.0
  N  N39  1  0.963  0.733  0.973  1.0
[/CIF]
.
The material structure described by Tb2N3 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TbN6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Tb site, Tb(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TbN6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. N(1) is bonded to one Tb(1) and three equivalent Tb(2) atoms to form a mixture of corner and edge-sharing NTb4 tetrahedra. is represented by the CIF card [CIF]
data_Tb2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.555
_cell_length_b   9.555
_cell_length_c   9.555
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   671.470
_cell_formula_units_Z   8
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
  Tb  Tb0  1  0.500  0.000  0.500  1.0
  Tb  Tb1  1  0.500  0.500  0.000  1.0
  Tb  Tb2  1  0.000  0.500  0.500  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  Tb  Tb4  1  0.780  0.250  0.030  1.0
  Tb  Tb5  1  0.720  0.750  0.470  1.0
  Tb  Tb6  1  0.250  0.030  0.780  1.0
  Tb  Tb7  1  0.750  0.470  0.720  1.0
  Tb  Tb8  1  0.030  0.780  0.250  1.0
  Tb  Tb9  1  0.470  0.720  0.750  1.0
  Tb  Tb10  1  0.220  0.750  0.970  1.0
  Tb  Tb11  1  0.280  0.250  0.530  1.0
  Tb  Tb12  1  0.750  0.970  0.220  1.0
  Tb  Tb13  1  0.250  0.530  0.280  1.0
  Tb  Tb14  1  0.970  0.220  0.750  1.0
  Tb  Tb15  1  0.530  0.280  0.250  1.0
  N  N16  1  0.490  0.230  0.463  1.0
  N  N17  1  0.233  0.270  0.760  1.0
  N  N18  1  0.010  0.473  0.740  1.0
  N  N19  1  0.267  0.027  0.037  1.0
  N  N20  1  0.230  0.463  0.490  1.0
  N  N21  1  0.270  0.760  0.233  1.0
  N  N22  1  0.473  0.740  0.010  1.0
  N  N23  1  0.027  0.037  0.267  1.0
  N  N24  1  0.463  0.490  0.230  1.0
  N  N25  1  0.760  0.233  0.270  1.0
  N  N26  1  0.740  0.010  0.473  1.0
  N  N27  1  0.037  0.267  0.027  1.0
  N  N28  1  0.510  0.770  0.537  1.0
  N  N29  1  0.767  0.730  0.240  1.0
  N  N30  1  0.990  0.527  0.260  1.0
  N  N31  1  0.733  0.973  0.963  1.0
  N  N32  1  0.770  0.537  0.510  1.0
  N  N33  1  0.730  0.240  0.767  1.0
  N  N34  1  0.527  0.260  0.990  1.0
  N  N35  1  0.973  0.963  0.733  1.0
  N  N36  1  0.537  0.510  0.770  1.0
  N  N37  1  0.240  0.767  0.730  1.0
  N  N38  1  0.260  0.990  0.527  1.0
  N  N39  1  0.963  0.733  0.973  1.0
[/CIF]
.