The structure described by Tm2N3 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Tm site, Tm(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. N(1) is bonded to one Tm(1) and three equivalent Tm(2) atoms to form a mixture of edge and corner-sharing NTm4 tetrahedra. is represented by the CIF card [CIF]
data_Tm2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.320
_cell_length_b   9.320
_cell_length_c   9.320
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   623.206
_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
  Tm  Tm0  1  0.500  0.000  0.500  1.0
  Tm  Tm1  1  0.500  0.500  0.000  1.0
  Tm  Tm2  1  0.000  0.500  0.500  1.0
  Tm  Tm3  1  0.000  0.000  0.000  1.0
  Tm  Tm4  1  0.780  0.250  0.030  1.0
  Tm  Tm5  1  0.720  0.750  0.470  1.0
  Tm  Tm6  1  0.250  0.030  0.780  1.0
  Tm  Tm7  1  0.750  0.470  0.720  1.0
  Tm  Tm8  1  0.030  0.780  0.250  1.0
  Tm  Tm9  1  0.470  0.720  0.750  1.0
  Tm  Tm10  1  0.220  0.750  0.970  1.0
  Tm  Tm11  1  0.280  0.250  0.530  1.0
  Tm  Tm12  1  0.750  0.970  0.220  1.0
  Tm  Tm13  1  0.250  0.530  0.280  1.0
  Tm  Tm14  1  0.970  0.220  0.750  1.0
  Tm  Tm15  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 structure described by Tm2N3 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Tm site, Tm(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing TmN6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. N(1) is bonded to one Tm(1) and three equivalent Tm(2) atoms to form a mixture of edge and corner-sharing NTm4 tetrahedra. is represented by the CIF card [CIF]
data_Tm2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.320
_cell_length_b   9.320
_cell_length_c   9.320
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   623.206
_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
  Tm  Tm0  1  0.500  0.000  0.500  1.0
  Tm  Tm1  1  0.500  0.500  0.000  1.0
  Tm  Tm2  1  0.000  0.500  0.500  1.0
  Tm  Tm3  1  0.000  0.000  0.000  1.0
  Tm  Tm4  1  0.780  0.250  0.030  1.0
  Tm  Tm5  1  0.720  0.750  0.470  1.0
  Tm  Tm6  1  0.250  0.030  0.780  1.0
  Tm  Tm7  1  0.750  0.470  0.720  1.0
  Tm  Tm8  1  0.030  0.780  0.250  1.0
  Tm  Tm9  1  0.470  0.720  0.750  1.0
  Tm  Tm10  1  0.220  0.750  0.970  1.0
  Tm  Tm11  1  0.280  0.250  0.530  1.0
  Tm  Tm12  1  0.750  0.970  0.220  1.0
  Tm  Tm13  1  0.250  0.530  0.280  1.0
  Tm  Tm14  1  0.970  0.220  0.750  1.0
  Tm  Tm15  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]
.