The material structure described by Ti3Sb crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. In the second Ti site, Ti(3) is bonded in a 6-coordinate geometry to two equivalent Ti(3) and four equivalent Sb(1) atoms. In the third Ti site, Ti(2) is bonded in a distorted q6 geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(3) and eight equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   7.926
_cell_angle_alpha   96.297
_cell_angle_beta   96.297
_cell_angle_gamma   141.318
_symmetry_Int_Tables_number   1
_cell_volume   293.676
_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  0.576  0.717  0.292  1.0
  Ti  Ti1  1  0.717  0.424  0.141  1.0
  Ti  Ti2  1  0.283  0.576  0.859  1.0
  Ti  Ti3  1  0.076  0.783  0.859  1.0
  Ti  Ti4  1  0.250  0.250  0.000  1.0
  Ti  Ti5  1  0.783  0.924  0.708  1.0
  Ti  Ti6  1  0.424  0.283  0.708  1.0
  Ti  Ti7  1  0.750  0.750  0.000  1.0
  Ti  Ti8  1  0.217  0.076  0.292  1.0
  Ti  Ti9  1  0.924  0.217  0.141  1.0
  Ti  Ti10  1  0.250  0.750  0.500  1.0
  Ti  Ti11  1  0.750  0.250  0.500  1.0
  Sb  Sb12  1  0.837  0.663  0.500  1.0
  Sb  Sb13  1  0.337  0.837  0.174  1.0
  Sb  Sb14  1  0.163  0.337  0.500  1.0
  Sb  Sb15  1  0.663  0.163  0.826  1.0
[/CIF]
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The material structure described by Ti3Sb crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. In the second Ti site, Ti(3) is bonded in a 6-coordinate geometry to two equivalent Ti(3) and four equivalent Sb(1) atoms. In the third Ti site, Ti(2) is bonded in a distorted q6 geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(3) and eight equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   7.926
_cell_angle_alpha   96.297
_cell_angle_beta   96.297
_cell_angle_gamma   141.318
_symmetry_Int_Tables_number   1
_cell_volume   293.676
_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  0.576  0.717  0.292  1.0
  Ti  Ti1  1  0.717  0.424  0.141  1.0
  Ti  Ti2  1  0.283  0.576  0.859  1.0
  Ti  Ti3  1  0.076  0.783  0.859  1.0
  Ti  Ti4  1  0.250  0.250  0.000  1.0
  Ti  Ti5  1  0.783  0.924  0.708  1.0
  Ti  Ti6  1  0.424  0.283  0.708  1.0
  Ti  Ti7  1  0.750  0.750  0.000  1.0
  Ti  Ti8  1  0.217  0.076  0.292  1.0
  Ti  Ti9  1  0.924  0.217  0.141  1.0
  Ti  Ti10  1  0.250  0.750  0.500  1.0
  Ti  Ti11  1  0.750  0.250  0.500  1.0
  Sb  Sb12  1  0.837  0.663  0.500  1.0
  Sb  Sb13  1  0.337  0.837  0.174  1.0
  Sb  Sb14  1  0.163  0.337  0.500  1.0
  Sb  Sb15  1  0.663  0.163  0.826  1.0
[/CIF]
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