The crystal structure described by Ti(FeSe2)2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one Se(2), one Se(3), one Se(4), and two equivalent Se(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), one Fe(2), one Se(2), one Se(3), one Se(4), and two equivalent Se(1) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Fe(1), one Se(1), one Se(2), one Se(3), and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Fe(2), and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Ti(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   6.269
_cell_length_c   8.194
_cell_angle_alpha   137.192
_cell_angle_beta   92.187
_cell_angle_gamma   115.038
_symmetry_Int_Tables_number   1
_cell_volume   134.025
_cell_formula_units_Z   1
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  0.302  0.045  0.432  1.0
  Fe  Fe1  1  0.327  0.584  0.912  1.0
  Fe  Fe2  1  0.755  0.930  0.602  1.0
  Se  Se3  1  0.805  0.538  0.918  1.0
  Se  Se4  1  0.315  0.617  0.646  1.0
  Se  Se5  1  0.727  0.354  0.374  1.0
  Se  Se6  1  0.269  0.432  0.115  1.0
[/CIF]
.
The crystal structure described by Ti(FeSe2)2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one Se(2), one Se(3), one Se(4), and two equivalent Se(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), one Fe(2), one Se(2), one Se(3), one Se(4), and two equivalent Se(1) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Fe(1), one Se(1), one Se(2), one Se(3), and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Fe(2), and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Ti(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   6.269
_cell_length_c   8.194
_cell_angle_alpha   137.192
_cell_angle_beta   92.187
_cell_angle_gamma   115.038
_symmetry_Int_Tables_number   1
_cell_volume   134.025
_cell_formula_units_Z   1
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  0.302  0.045  0.432  1.0
  Fe  Fe1  1  0.327  0.584  0.912  1.0
  Fe  Fe2  1  0.755  0.930  0.602  1.0
  Se  Se3  1  0.805  0.538  0.918  1.0
  Se  Se4  1  0.315  0.617  0.646  1.0
  Se  Se5  1  0.727  0.354  0.374  1.0
  Se  Se6  1  0.269  0.432  0.115  1.0
[/CIF]
.