The material described by Ti(CdN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form TiN4 tetrahedra that share corners with three equivalent Cd(3)N5 square pyramids and  an edgeedge with one Cd(3)N5 square pyramid. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cd site, Cd(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form distorted CdN5 square pyramids that share corners with three equivalent Ti(1)N4 tetrahedra, edges with two equivalent Cd(3)N5 square pyramids, and  an edgeedge with one Ti(1)N4 tetrahedra. In the fourth Cd site, Cd(4) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Cd(1), two equivalent Cd(3), and two equivalent Cd(4) atoms to form distorted NTiCd5 octahedra that share corners with two equivalent N(2)TiCd3 tetrahedra and edges with two equivalent N(1)TiCd5 octahedra. In the second N site, N(2) is bonded to one Ti(1), one Cd(1), and two equivalent Cd(2) atoms to form distorted NTiCd3 tetrahedra that share corners with two equivalent N(1)TiCd5 octahedra and  an edgeedge with one N(2)TiCd3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ti(1), one Cd(1), one Cd(3), one Cd(4), and two equivalent Cd(2) atoms. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Ti(1), one Cd(1), two equivalent Cd(3), and two equivalent Cd(4) atoms. is represented by the CIF file [CIF]
data_Ti(CdN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   5.841
_cell_length_c   8.957
_cell_angle_alpha   69.558
_cell_angle_beta   85.106
_cell_angle_gamma   69.699
_symmetry_Int_Tables_number   1
_cell_volume   270.890
_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  0.714  0.848  0.767  1.0
  Ti  Ti1  1  0.286  0.152  0.233  1.0
  Cd  Cd2  1  0.723  0.638  0.188  1.0
  Cd  Cd3  1  0.277  0.362  0.812  1.0
  Cd  Cd4  1  0.760  0.241  0.996  1.0
  Cd  Cd5  1  0.240  0.759  0.004  1.0
  Cd  Cd6  1  0.751  0.470  0.581  1.0
  Cd  Cd7  1  0.249  0.530  0.419  1.0
  Cd  Cd8  1  0.254  0.931  0.590  1.0
  Cd  Cd9  1  0.746  0.069  0.410  1.0
  N  N10  1  0.966  0.705  0.625  1.0
  N  N11  1  0.034  0.295  0.375  1.0
  N  N12  1  0.839  0.852  0.958  1.0
  N  N13  1  0.161  0.148  0.042  1.0
  N  N14  1  0.497  0.647  0.811  1.0
  N  N15  1  0.503  0.353  0.189  1.0
  N  N16  1  0.469  0.800  0.368  1.0
  N  N17  1  0.531  0.200  0.632  1.0
[/CIF]
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The material described by Ti(CdN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form TiN4 tetrahedra that share corners with three equivalent Cd(3)N5 square pyramids and  an edgeedge with one Cd(3)N5 square pyramid. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cd site, Cd(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form distorted CdN5 square pyramids that share corners with three equivalent Ti(1)N4 tetrahedra, edges with two equivalent Cd(3)N5 square pyramids, and  an edgeedge with one Ti(1)N4 tetrahedra. In the fourth Cd site, Cd(4) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Cd(1), two equivalent Cd(3), and two equivalent Cd(4) atoms to form distorted NTiCd5 octahedra that share corners with two equivalent N(2)TiCd3 tetrahedra and edges with two equivalent N(1)TiCd5 octahedra. In the second N site, N(2) is bonded to one Ti(1), one Cd(1), and two equivalent Cd(2) atoms to form distorted NTiCd3 tetrahedra that share corners with two equivalent N(1)TiCd5 octahedra and  an edgeedge with one N(2)TiCd3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ti(1), one Cd(1), one Cd(3), one Cd(4), and two equivalent Cd(2) atoms. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Ti(1), one Cd(1), two equivalent Cd(3), and two equivalent Cd(4) atoms. is represented by the CIF file [CIF]
data_Ti(CdN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   5.841
_cell_length_c   8.957
_cell_angle_alpha   69.558
_cell_angle_beta   85.106
_cell_angle_gamma   69.699
_symmetry_Int_Tables_number   1
_cell_volume   270.890
_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  0.714  0.848  0.767  1.0
  Ti  Ti1  1  0.286  0.152  0.233  1.0
  Cd  Cd2  1  0.723  0.638  0.188  1.0
  Cd  Cd3  1  0.277  0.362  0.812  1.0
  Cd  Cd4  1  0.760  0.241  0.996  1.0
  Cd  Cd5  1  0.240  0.759  0.004  1.0
  Cd  Cd6  1  0.751  0.470  0.581  1.0
  Cd  Cd7  1  0.249  0.530  0.419  1.0
  Cd  Cd8  1  0.254  0.931  0.590  1.0
  Cd  Cd9  1  0.746  0.069  0.410  1.0
  N  N10  1  0.966  0.705  0.625  1.0
  N  N11  1  0.034  0.295  0.375  1.0
  N  N12  1  0.839  0.852  0.958  1.0
  N  N13  1  0.161  0.148  0.042  1.0
  N  N14  1  0.497  0.647  0.811  1.0
  N  N15  1  0.503  0.353  0.189  1.0
  N  N16  1  0.469  0.800  0.368  1.0
  N  N17  1  0.531  0.200  0.632  1.0
[/CIF]
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