The compound described by Ti(InN)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 four equivalent In(3)N4 tetrahedra. There are four inequivalent In sites. In the first In site, In(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the second In site, In(2) is bonded in a distorted T-shaped geometry to one N(3) and two equivalent N(2) atoms. In the third In site, In(3) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form distorted InN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra and edges with two equivalent In(3)N4 tetrahedra. In the fourth In site, In(4) is bonded in a bent 120 degrees geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one In(1), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing NTiIn3 tetrahedra. In the second N site, N(2) is bonded to one Ti(1), one In(1), and two equivalent In(2) atoms to form a mixture of distorted edge and corner-sharing NTiIn3 trigonal pyramids. In the third N site, N(3) is bonded to one Ti(1), one In(1), one In(2), and one In(4) atom to form a mixture of distorted edge and corner-sharing NTiIn3 tetrahedra. In the fourth N site, N(4) is bonded to one Ti(1), one In(4), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing NTiIn3 tetrahedra. is represented by the CIF card [CIF]
data_Ti(InN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.426
_cell_length_c   8.993
_cell_angle_alpha   74.242
_cell_angle_beta   85.558
_cell_angle_gamma   57.857
_symmetry_Int_Tables_number   1
_cell_volume   296.108
_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  0.746  0.910  0.741  1.0
  Ti  Ti1  1  0.254  0.090  0.259  1.0
  In  In2  1  0.783  0.662  0.138  1.0
  In  In3  1  0.217  0.338  0.862  1.0
  In  In4  1  0.701  0.233  0.975  1.0
  In  In5  1  0.299  0.767  0.025  1.0
  In  In6  1  0.778  0.445  0.543  1.0
  In  In7  1  0.222  0.555  0.457  1.0
  In  In8  1  0.230  0.954  0.635  1.0
  In  In9  1  0.770  0.046  0.365  1.0
  N  N10  1  0.948  0.612  0.657  1.0
  N  N11  1  0.052  0.388  0.343  1.0
  N  N12  1  0.944  0.819  0.941  1.0
  N  N13  1  0.056  0.181  0.059  1.0
  N  N14  1  0.454  0.928  0.820  1.0
  N  N15  1  0.546  0.072  0.180  1.0
  N  N16  1  0.410  0.781  0.446  1.0
  N  N17  1  0.590  0.219  0.554  1.0
[/CIF]
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The compound described by Ti(InN)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 four equivalent In(3)N4 tetrahedra. There are four inequivalent In sites. In the first In site, In(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the second In site, In(2) is bonded in a distorted T-shaped geometry to one N(3) and two equivalent N(2) atoms. In the third In site, In(3) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form distorted InN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra and edges with two equivalent In(3)N4 tetrahedra. In the fourth In site, In(4) is bonded in a bent 120 degrees geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one In(1), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing NTiIn3 tetrahedra. In the second N site, N(2) is bonded to one Ti(1), one In(1), and two equivalent In(2) atoms to form a mixture of distorted edge and corner-sharing NTiIn3 trigonal pyramids. In the third N site, N(3) is bonded to one Ti(1), one In(1), one In(2), and one In(4) atom to form a mixture of distorted edge and corner-sharing NTiIn3 tetrahedra. In the fourth N site, N(4) is bonded to one Ti(1), one In(4), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing NTiIn3 tetrahedra. is represented by the CIF card [CIF]
data_Ti(InN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.426
_cell_length_c   8.993
_cell_angle_alpha   74.242
_cell_angle_beta   85.558
_cell_angle_gamma   57.857
_symmetry_Int_Tables_number   1
_cell_volume   296.108
_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  0.746  0.910  0.741  1.0
  Ti  Ti1  1  0.254  0.090  0.259  1.0
  In  In2  1  0.783  0.662  0.138  1.0
  In  In3  1  0.217  0.338  0.862  1.0
  In  In4  1  0.701  0.233  0.975  1.0
  In  In5  1  0.299  0.767  0.025  1.0
  In  In6  1  0.778  0.445  0.543  1.0
  In  In7  1  0.222  0.555  0.457  1.0
  In  In8  1  0.230  0.954  0.635  1.0
  In  In9  1  0.770  0.046  0.365  1.0
  N  N10  1  0.948  0.612  0.657  1.0
  N  N11  1  0.052  0.388  0.343  1.0
  N  N12  1  0.944  0.819  0.941  1.0
  N  N13  1  0.056  0.181  0.059  1.0
  N  N14  1  0.454  0.928  0.820  1.0
  N  N15  1  0.546  0.072  0.180  1.0
  N  N16  1  0.410  0.781  0.446  1.0
  N  N17  1  0.590  0.219  0.554  1.0
[/CIF]
.