The crystal structure described by TiSnSb is Khatyrkite-derived structured and crystallizes in the orthorhombic Fddd space group. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1), four equivalent Sn(1), and four equivalent Sb(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms. Sb(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   5.619
_cell_length_c   10.125
_cell_angle_alpha   82.408
_cell_angle_beta   74.289
_cell_angle_gamma   60.798
_symmetry_Int_Tables_number   1
_cell_volume   262.148
_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  0.001  0.250  0.997  1.0
  Ti  Ti1  1  0.749  0.250  0.503  1.0
  Ti  Ti2  1  0.999  0.750  0.003  1.0
  Ti  Ti3  1  0.251  0.750  0.497  1.0
  Sn  Sn4  1  0.708  0.584  0.250  1.0
  Sn  Sn5  1  0.042  0.916  0.250  1.0
  Sn  Sn6  1  0.292  0.416  0.750  1.0
  Sn  Sn7  1  0.958  0.084  0.750  1.0
  Sb  Sb8  1  0.452  0.250  0.095  1.0
  Sb  Sb9  1  0.298  0.250  0.405  1.0
  Sb  Sb10  1  0.548  0.750  0.905  1.0
  Sb  Sb11  1  0.702  0.750  0.595  1.0
[/CIF]
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The crystal structure described by TiSnSb is Khatyrkite-derived structured and crystallizes in the orthorhombic Fddd space group. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1), four equivalent Sn(1), and four equivalent Sb(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms. Sb(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   5.619
_cell_length_c   10.125
_cell_angle_alpha   82.408
_cell_angle_beta   74.289
_cell_angle_gamma   60.798
_symmetry_Int_Tables_number   1
_cell_volume   262.148
_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  0.001  0.250  0.997  1.0
  Ti  Ti1  1  0.749  0.250  0.503  1.0
  Ti  Ti2  1  0.999  0.750  0.003  1.0
  Ti  Ti3  1  0.251  0.750  0.497  1.0
  Sn  Sn4  1  0.708  0.584  0.250  1.0
  Sn  Sn5  1  0.042  0.916  0.250  1.0
  Sn  Sn6  1  0.292  0.416  0.750  1.0
  Sn  Sn7  1  0.958  0.084  0.750  1.0
  Sb  Sb8  1  0.452  0.250  0.095  1.0
  Sb  Sb9  1  0.298  0.250  0.405  1.0
  Sb  Sb10  1  0.548  0.750  0.905  1.0
  Sb  Sb11  1  0.702  0.750  0.595  1.0
[/CIF]
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