The material described by Ti5Sb3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to two equivalent Sb(2) and three equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one Sb(2) and four equivalent Sb(1) atoms. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to one Sb(2) and four equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(4), and three equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Ti(3), one Ti(4), two equivalent Ti(2), and four equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.193
_cell_length_b   8.337
_cell_length_c   10.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   612.158
_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  0.794  0.937  0.945  1.0
  Ti  Ti1  1  0.294  0.063  0.555  1.0
  Ti  Ti2  1  0.206  0.437  0.055  1.0
  Ti  Ti3  1  0.706  0.563  0.445  1.0
  Ti  Ti4  1  0.206  0.063  0.055  1.0
  Ti  Ti5  1  0.706  0.937  0.445  1.0
  Ti  Ti6  1  0.794  0.563  0.945  1.0
  Ti  Ti7  1  0.294  0.437  0.555  1.0
  Ti  Ti8  1  0.181  0.750  0.765  1.0
  Ti  Ti9  1  0.681  0.250  0.735  1.0
  Ti  Ti10  1  0.819  0.250  0.235  1.0
  Ti  Ti11  1  0.319  0.750  0.265  1.0
  Ti  Ti12  1  0.478  0.750  0.996  1.0
  Ti  Ti13  1  0.978  0.250  0.504  1.0
  Ti  Ti14  1  0.522  0.250  0.005  1.0
  Ti  Ti15  1  0.022  0.750  0.495  1.0
  Ti  Ti16  1  0.675  0.750  0.718  1.0
  Ti  Ti17  1  0.175  0.250  0.782  1.0
  Ti  Ti18  1  0.325  0.250  0.282  1.0
  Ti  Ti19  1  0.825  0.750  0.218  1.0
  Sb  Sb20  1  0.935  0.508  0.678  1.0
  Sb  Sb21  1  0.435  0.492  0.822  1.0
  Sb  Sb22  1  0.065  0.008  0.322  1.0
  Sb  Sb23  1  0.565  0.992  0.178  1.0
  Sb  Sb24  1  0.065  0.492  0.322  1.0
  Sb  Sb25  1  0.565  0.508  0.178  1.0
  Sb  Sb26  1  0.935  0.992  0.678  1.0
  Sb  Sb27  1  0.435  0.008  0.822  1.0
  Sb  Sb28  1  0.411  0.750  0.526  1.0
  Sb  Sb29  1  0.911  0.250  0.974  1.0
  Sb  Sb30  1  0.589  0.250  0.474  1.0
  Sb  Sb31  1  0.089  0.750  0.026  1.0
[/CIF]
.
The material described by Ti5Sb3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to two equivalent Sb(2) and three equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one Sb(2) and four equivalent Sb(1) atoms. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to one Sb(2) and four equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(4), and three equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Ti(3), one Ti(4), two equivalent Ti(2), and four equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.193
_cell_length_b   8.337
_cell_length_c   10.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   612.158
_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  0.794  0.937  0.945  1.0
  Ti  Ti1  1  0.294  0.063  0.555  1.0
  Ti  Ti2  1  0.206  0.437  0.055  1.0
  Ti  Ti3  1  0.706  0.563  0.445  1.0
  Ti  Ti4  1  0.206  0.063  0.055  1.0
  Ti  Ti5  1  0.706  0.937  0.445  1.0
  Ti  Ti6  1  0.794  0.563  0.945  1.0
  Ti  Ti7  1  0.294  0.437  0.555  1.0
  Ti  Ti8  1  0.181  0.750  0.765  1.0
  Ti  Ti9  1  0.681  0.250  0.735  1.0
  Ti  Ti10  1  0.819  0.250  0.235  1.0
  Ti  Ti11  1  0.319  0.750  0.265  1.0
  Ti  Ti12  1  0.478  0.750  0.996  1.0
  Ti  Ti13  1  0.978  0.250  0.504  1.0
  Ti  Ti14  1  0.522  0.250  0.005  1.0
  Ti  Ti15  1  0.022  0.750  0.495  1.0
  Ti  Ti16  1  0.675  0.750  0.718  1.0
  Ti  Ti17  1  0.175  0.250  0.782  1.0
  Ti  Ti18  1  0.325  0.250  0.282  1.0
  Ti  Ti19  1  0.825  0.750  0.218  1.0
  Sb  Sb20  1  0.935  0.508  0.678  1.0
  Sb  Sb21  1  0.435  0.492  0.822  1.0
  Sb  Sb22  1  0.065  0.008  0.322  1.0
  Sb  Sb23  1  0.565  0.992  0.178  1.0
  Sb  Sb24  1  0.065  0.492  0.322  1.0
  Sb  Sb25  1  0.565  0.508  0.178  1.0
  Sb  Sb26  1  0.935  0.992  0.678  1.0
  Sb  Sb27  1  0.435  0.008  0.822  1.0
  Sb  Sb28  1  0.411  0.750  0.526  1.0
  Sb  Sb29  1  0.911  0.250  0.974  1.0
  Sb  Sb30  1  0.589  0.250  0.474  1.0
  Sb  Sb31  1  0.089  0.750  0.026  1.0
[/CIF]
.