The structure described by TiSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to six equivalent Se(1) atoms to form a mixture of distorted face, corner, and edge-sharing TiSe6 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. Se(1) is bonded in a 6-coordinate geometry to six equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.493
_cell_length_b   6.242
_cell_length_c   6.454
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.712
_cell_formula_units_Z   4
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  0.250  0.692  0.506  1.0
  Ti  Ti1  1  0.250  0.808  0.006  1.0
  Ti  Ti2  1  0.750  0.308  0.494  1.0
  Ti  Ti3  1  0.750  0.192  0.994  1.0
  Se  Se4  1  0.750  0.917  0.284  1.0
  Se  Se5  1  0.250  0.083  0.716  1.0
  Se  Se6  1  0.250  0.417  0.216  1.0
  Se  Se7  1  0.750  0.583  0.784  1.0
[/CIF]
.
The structure described by TiSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to six equivalent Se(1) atoms to form a mixture of distorted face, corner, and edge-sharing TiSe6 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. Se(1) is bonded in a 6-coordinate geometry to six equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.493
_cell_length_b   6.242
_cell_length_c   6.454
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.712
_cell_formula_units_Z   4
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  0.250  0.692  0.506  1.0
  Ti  Ti1  1  0.250  0.808  0.006  1.0
  Ti  Ti2  1  0.750  0.308  0.494  1.0
  Ti  Ti3  1  0.750  0.192  0.994  1.0
  Se  Se4  1  0.750  0.917  0.284  1.0
  Se  Se5  1  0.250  0.083  0.716  1.0
  Se  Se6  1  0.250  0.417  0.216  1.0
  Se  Se7  1  0.750  0.583  0.784  1.0
[/CIF]
.