The compound described by TiReN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with three equivalent Re(1)N6 octahedra, corners with six equivalent Ti(1)N6 octahedra, edges with three equivalent Re(1)N6 octahedra, and  a faceface with one Re(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. Re(1) is bonded to six equivalent N(1) atoms to form ReN6 octahedra that share corners with three equivalent Ti(1)N6 octahedra, corners with six equivalent Re(1)N6 octahedra, edges with three equivalent Ti(1)N6 octahedra, and  a faceface with one Ti(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. N(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_TiReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.575
_cell_length_b   5.575
_cell_length_c   5.575
_cell_angle_alpha   54.488
_cell_angle_beta   54.488
_cell_angle_gamma   54.488
_symmetry_Int_Tables_number   1
_cell_volume   106.788
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.006  0.006  0.006  1.0
  Ti  Ti1  1  0.506  0.506  0.506  1.0
  Re  Re2  1  0.702  0.702  0.702  1.0
  Re  Re3  1  0.202  0.202  0.202  1.0
  N  N4  1  0.929  0.588  0.294  1.0
  N  N5  1  0.588  0.294  0.929  1.0
  N  N6  1  0.794  0.088  0.429  1.0
  N  N7  1  0.088  0.429  0.794  1.0
  N  N8  1  0.294  0.929  0.588  1.0
  N  N9  1  0.429  0.794  0.088  1.0
[/CIF]
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The compound described by TiReN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with three equivalent Re(1)N6 octahedra, corners with six equivalent Ti(1)N6 octahedra, edges with three equivalent Re(1)N6 octahedra, and  a faceface with one Re(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. Re(1) is bonded to six equivalent N(1) atoms to form ReN6 octahedra that share corners with three equivalent Ti(1)N6 octahedra, corners with six equivalent Re(1)N6 octahedra, edges with three equivalent Ti(1)N6 octahedra, and  a faceface with one Ti(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. N(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_TiReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.575
_cell_length_b   5.575
_cell_length_c   5.575
_cell_angle_alpha   54.488
_cell_angle_beta   54.488
_cell_angle_gamma   54.488
_symmetry_Int_Tables_number   1
_cell_volume   106.788
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.006  0.006  0.006  1.0
  Ti  Ti1  1  0.506  0.506  0.506  1.0
  Re  Re2  1  0.702  0.702  0.702  1.0
  Re  Re3  1  0.202  0.202  0.202  1.0
  N  N4  1  0.929  0.588  0.294  1.0
  N  N5  1  0.588  0.294  0.929  1.0
  N  N6  1  0.794  0.088  0.429  1.0
  N  N7  1  0.088  0.429  0.794  1.0
  N  N8  1  0.294  0.929  0.588  1.0
  N  N9  1  0.429  0.794  0.088  1.0
[/CIF]
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