The structure described by TiSb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Sb(2) and eight equivalent Sb(1) atoms to form TiSb12 cuboctahedra that share corners with four equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with sixteen equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with eight equivalent Sb(1)Ti4Sb8 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Ti(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form distorted SbTi4Sb8 cuboctahedra that share corners with twelve equivalent Sb(1)Ti4Sb8 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with ten equivalent Sb(1)Ti4Sb8 cuboctahedra. In the second Sb site, Sb(2) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) and eight equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_TiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   5.822
_cell_length_c   5.822
_cell_angle_alpha   135.434
_cell_angle_beta   135.434
_cell_angle_gamma   64.856
_symmetry_Int_Tables_number   1
_cell_volume   95.805
_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  0.000  0.000  0.000  1.0
  Sb  Sb1  1  0.750  0.250  0.500  1.0
  Sb  Sb2  1  0.250  0.750  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by TiSb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Sb(2) and eight equivalent Sb(1) atoms to form TiSb12 cuboctahedra that share corners with four equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with sixteen equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with eight equivalent Sb(1)Ti4Sb8 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Ti(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form distorted SbTi4Sb8 cuboctahedra that share corners with twelve equivalent Sb(1)Ti4Sb8 cuboctahedra, edges with eight equivalent Ti(1)Sb12 cuboctahedra, edges with eight equivalent Sb(1)Ti4Sb8 cuboctahedra, faces with four equivalent Ti(1)Sb12 cuboctahedra, and faces with ten equivalent Sb(1)Ti4Sb8 cuboctahedra. In the second Sb site, Sb(2) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) and eight equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_TiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   5.822
_cell_length_c   5.822
_cell_angle_alpha   135.434
_cell_angle_beta   135.434
_cell_angle_gamma   64.856
_symmetry_Int_Tables_number   1
_cell_volume   95.805
_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  0.000  0.000  0.000  1.0
  Sb  Sb1  1  0.750  0.250  0.500  1.0
  Sb  Sb2  1  0.250  0.750  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
[/CIF]
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