The structure described by Ti6Sn5 crystallizes in the orthorhombic Immm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to four equivalent Ti(4), one Sn(3), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(3), two equivalent Ti(4), one Sn(2), one Sn(3), two equivalent Sn(1), and two equivalent Sn(4) atoms. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to two equivalent Ti(3), four equivalent Ti(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the fourth Ti site, Ti(4) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(4), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Ti(4) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent Sn(4) atoms. is represented by the CIF file [CIF]
data_Ti6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   9.089
_cell_length_c   9.885
_cell_angle_alpha   117.370
_cell_angle_beta   106.765
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   430.334
_cell_formula_units_Z   2
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  0.157  0.157  0.314  1.0
  Ti  Ti1  1  0.413  0.685  0.827  1.0
  Ti  Ti2  1  0.587  0.859  0.173  1.0
  Ti  Ti3  1  0.843  0.843  0.686  1.0
  Ti  Ti4  1  0.266  0.500  1.000  1.0
  Ti  Ti5  1  0.500  0.000  0.500  1.0
  Ti  Ti6  1  0.734  0.500  0.000  1.0
  Ti  Ti7  1  0.587  0.315  0.173  1.0
  Ti  Ti8  1  0.413  0.141  0.827  1.0
  Ti  Ti9  1  0.500  0.500  0.500  1.0
  Ti  Ti10  1  0.000  0.500  0.500  1.0
  Ti  Ti11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.105  0.412  0.210  1.0
  Sn  Sn13  1  0.293  0.793  0.585  1.0
  Sn  Sn14  1  0.331  0.330  0.661  1.0
  Sn  Sn15  1  0.105  0.798  0.210  1.0
  Sn  Sn16  1  0.707  0.207  0.415  1.0
  Sn  Sn17  1  0.246  1.000  1.000  1.0
  Sn  Sn18  1  0.669  0.670  0.339  1.0
  Sn  Sn19  1  0.895  0.588  0.790  1.0
  Sn  Sn20  1  0.895  0.202  0.790  1.0
  Sn  Sn21  1  0.754  0.000  0.000  1.0
[/CIF]
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The structure described by Ti6Sn5 crystallizes in the orthorhombic Immm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to four equivalent Ti(4), one Sn(3), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(3), two equivalent Ti(4), one Sn(2), one Sn(3), two equivalent Sn(1), and two equivalent Sn(4) atoms. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to two equivalent Ti(3), four equivalent Ti(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the fourth Ti site, Ti(4) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(4), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Ti(4) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent Sn(4) atoms. is represented by the CIF file [CIF]
data_Ti6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   9.089
_cell_length_c   9.885
_cell_angle_alpha   117.370
_cell_angle_beta   106.765
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   430.334
_cell_formula_units_Z   2
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  0.157  0.157  0.314  1.0
  Ti  Ti1  1  0.413  0.685  0.827  1.0
  Ti  Ti2  1  0.587  0.859  0.173  1.0
  Ti  Ti3  1  0.843  0.843  0.686  1.0
  Ti  Ti4  1  0.266  0.500  1.000  1.0
  Ti  Ti5  1  0.500  0.000  0.500  1.0
  Ti  Ti6  1  0.734  0.500  0.000  1.0
  Ti  Ti7  1  0.587  0.315  0.173  1.0
  Ti  Ti8  1  0.413  0.141  0.827  1.0
  Ti  Ti9  1  0.500  0.500  0.500  1.0
  Ti  Ti10  1  0.000  0.500  0.500  1.0
  Ti  Ti11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.105  0.412  0.210  1.0
  Sn  Sn13  1  0.293  0.793  0.585  1.0
  Sn  Sn14  1  0.331  0.330  0.661  1.0
  Sn  Sn15  1  0.105  0.798  0.210  1.0
  Sn  Sn16  1  0.707  0.207  0.415  1.0
  Sn  Sn17  1  0.246  1.000  1.000  1.0
  Sn  Sn18  1  0.669  0.670  0.339  1.0
  Sn  Sn19  1  0.895  0.588  0.790  1.0
  Sn  Sn20  1  0.895  0.202  0.790  1.0
  Sn  Sn21  1  0.754  0.000  0.000  1.0
[/CIF]
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