The crystal structure described by Ti(NiN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Ni site, Ni(2) is bonded in a distorted trigonal non-coplanar geometry to one N(3) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. In the fourth Ni site, Ni(4) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ni(1), one Ni(3), and two equivalent Ni(4) atoms to form a mixture of distorted edge and corner-sharing NTiNi4 trigonal bipyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ni(1), and two equivalent Ni(2) atoms. In the third N site, N(3) is bonded to one Ti(1), one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing NTiNi4 square pyramids. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ni(1), one Ni(3), and one Ni(4) atom. is represented by the CIF file [CIF]
data_Ti(NiN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.477
_cell_length_c   7.521
_cell_angle_alpha   68.497
_cell_angle_beta   83.779
_cell_angle_gamma   62.944
_symmetry_Int_Tables_number   1
_cell_volume   183.923
_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  0.735  0.802  0.776  1.0
  Ti  Ti1  1  0.265  0.198  0.224  1.0
  Ni  Ni2  1  0.679  0.628  0.189  1.0
  Ni  Ni3  1  0.321  0.372  0.811  1.0
  Ni  Ni4  1  0.799  0.197  0.928  1.0
  Ni  Ni5  1  0.201  0.803  0.072  1.0
  Ni  Ni6  1  0.750  0.479  0.548  1.0
  Ni  Ni7  1  0.250  0.521  0.452  1.0
  Ni  Ni8  1  0.220  0.950  0.627  1.0
  Ni  Ni9  1  0.780  0.050  0.373  1.0
  N  N10  1  0.030  0.742  0.599  1.0
  N  N11  1  0.970  0.258  0.401  1.0
  N  N12  1  0.870  0.803  0.014  1.0
  N  N13  1  0.130  0.197  0.986  1.0
  N  N14  1  0.562  0.564  0.760  1.0
  N  N15  1  0.438  0.436  0.240  1.0
  N  N16  1  0.592  0.843  0.357  1.0
  N  N17  1  0.408  0.157  0.643  1.0
[/CIF]
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The crystal structure described by Ti(NiN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Ni site, Ni(2) is bonded in a distorted trigonal non-coplanar geometry to one N(3) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. In the fourth Ni site, Ni(4) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ni(1), one Ni(3), and two equivalent Ni(4) atoms to form a mixture of distorted edge and corner-sharing NTiNi4 trigonal bipyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ni(1), and two equivalent Ni(2) atoms. In the third N site, N(3) is bonded to one Ti(1), one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing NTiNi4 square pyramids. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ni(1), one Ni(3), and one Ni(4) atom. is represented by the CIF file [CIF]
data_Ti(NiN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.477
_cell_length_c   7.521
_cell_angle_alpha   68.497
_cell_angle_beta   83.779
_cell_angle_gamma   62.944
_symmetry_Int_Tables_number   1
_cell_volume   183.923
_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  0.735  0.802  0.776  1.0
  Ti  Ti1  1  0.265  0.198  0.224  1.0
  Ni  Ni2  1  0.679  0.628  0.189  1.0
  Ni  Ni3  1  0.321  0.372  0.811  1.0
  Ni  Ni4  1  0.799  0.197  0.928  1.0
  Ni  Ni5  1  0.201  0.803  0.072  1.0
  Ni  Ni6  1  0.750  0.479  0.548  1.0
  Ni  Ni7  1  0.250  0.521  0.452  1.0
  Ni  Ni8  1  0.220  0.950  0.627  1.0
  Ni  Ni9  1  0.780  0.050  0.373  1.0
  N  N10  1  0.030  0.742  0.599  1.0
  N  N11  1  0.970  0.258  0.401  1.0
  N  N12  1  0.870  0.803  0.014  1.0
  N  N13  1  0.130  0.197  0.986  1.0
  N  N14  1  0.562  0.564  0.760  1.0
  N  N15  1  0.438  0.436  0.240  1.0
  N  N16  1  0.592  0.843  0.357  1.0
  N  N17  1  0.408  0.157  0.643  1.0
[/CIF]
.