The structure described by Ti(SnN)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 Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to one N(4) and two equivalent N(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 3-coordinate geometry to one N(3) and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ti(1), one Sn(1), and two equivalent Sn(3) atoms. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Sn(2), and two equivalent Sn(1) atoms. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Ti(1), one Sn(4), and two equivalent Sn(2) atoms. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Sn(3), and two equivalent Sn(4) atoms. is represented by the CIF card [CIF]
data_Ti(SnN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   7.797
_cell_length_c   9.165
_cell_angle_alpha   64.882
_cell_angle_beta   75.502
_cell_angle_gamma   53.323
_symmetry_Int_Tables_number   1
_cell_volume   338.753
_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  0.749  0.801  0.750  1.0
  Ti  Ti1  1  0.251  0.199  0.250  1.0
  Sn  Sn2  1  0.750  0.626  0.133  1.0
  Sn  Sn3  1  0.250  0.374  0.867  1.0
  Sn  Sn4  1  0.781  0.285  0.958  1.0
  Sn  Sn5  1  0.219  0.715  0.042  1.0
  Sn  Sn6  1  0.719  0.525  0.541  1.0
  Sn  Sn7  1  0.281  0.475  0.459  1.0
  Sn  Sn8  1  0.250  0.991  0.632  1.0
  Sn  Sn9  1  0.750  0.009  0.368  1.0
  N  N10  1  0.975  0.574  0.646  1.0
  N  N11  1  0.025  0.426  0.354  1.0
  N  N12  1  0.976  0.715  0.907  1.0
  N  N13  1  0.024  0.285  0.093  1.0
  N  N14  1  0.524  0.695  0.854  1.0
  N  N15  1  0.476  0.305  0.146  1.0
  N  N16  1  0.478  0.902  0.406  1.0
  N  N17  1  0.522  0.098  0.594  1.0
[/CIF]
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The structure described by Ti(SnN)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 Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to one N(4) and two equivalent N(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 3-coordinate geometry to one N(3) and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ti(1), one Sn(1), and two equivalent Sn(3) atoms. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Sn(2), and two equivalent Sn(1) atoms. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Ti(1), one Sn(4), and two equivalent Sn(2) atoms. In the fourth N site, N(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Sn(3), and two equivalent Sn(4) atoms. is represented by the CIF card [CIF]
data_Ti(SnN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   7.797
_cell_length_c   9.165
_cell_angle_alpha   64.882
_cell_angle_beta   75.502
_cell_angle_gamma   53.323
_symmetry_Int_Tables_number   1
_cell_volume   338.753
_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  0.749  0.801  0.750  1.0
  Ti  Ti1  1  0.251  0.199  0.250  1.0
  Sn  Sn2  1  0.750  0.626  0.133  1.0
  Sn  Sn3  1  0.250  0.374  0.867  1.0
  Sn  Sn4  1  0.781  0.285  0.958  1.0
  Sn  Sn5  1  0.219  0.715  0.042  1.0
  Sn  Sn6  1  0.719  0.525  0.541  1.0
  Sn  Sn7  1  0.281  0.475  0.459  1.0
  Sn  Sn8  1  0.250  0.991  0.632  1.0
  Sn  Sn9  1  0.750  0.009  0.368  1.0
  N  N10  1  0.975  0.574  0.646  1.0
  N  N11  1  0.025  0.426  0.354  1.0
  N  N12  1  0.976  0.715  0.907  1.0
  N  N13  1  0.024  0.285  0.093  1.0
  N  N14  1  0.524  0.695  0.854  1.0
  N  N15  1  0.476  0.305  0.146  1.0
  N  N16  1  0.478  0.902  0.406  1.0
  N  N17  1  0.522  0.098  0.594  1.0
[/CIF]
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