The compound described by Ti2Sn3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to one Sn(1), three equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to one Sn(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent Ti(2) atoms. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Ti(2) and three equivalent Ti(1) atoms. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Ti(2) and four equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ti2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   7.030
_cell_length_c   10.443
_cell_angle_alpha   90.001
_cell_angle_beta   106.652
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   419.657
_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  0.081  0.453  0.161  1.0
  Ti  Ti1  1  0.587  0.250  0.674  1.0
  Ti  Ti2  1  0.914  0.750  0.326  1.0
  Ti  Ti3  1  0.414  0.750  0.326  1.0
  Ti  Ti4  1  0.581  0.048  0.161  1.0
  Ti  Ti5  1  0.087  0.250  0.673  1.0
  Ti  Ti6  1  0.920  0.548  0.839  1.0
  Ti  Ti7  1  0.420  0.953  0.839  1.0
  Sn  Sn8  1  0.225  0.429  0.449  1.0
  Sn  Sn9  1  0.879  0.927  0.757  1.0
  Sn  Sn10  1  0.725  0.072  0.449  1.0
  Sn  Sn11  1  0.276  0.929  0.551  1.0
  Sn  Sn12  1  0.772  0.751  0.041  1.0
  Sn  Sn13  1  0.123  0.074  0.243  1.0
  Sn  Sn14  1  0.379  0.574  0.757  1.0
  Sn  Sn15  1  0.730  0.251  0.959  1.0
  Sn  Sn16  1  0.776  0.572  0.551  1.0
  Sn  Sn17  1  0.272  0.750  0.041  1.0
  Sn  Sn18  1  0.230  0.250  0.959  1.0
  Sn  Sn19  1  0.623  0.427  0.243  1.0
[/CIF]
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The compound described by Ti2Sn3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to one Sn(1), three equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to one Sn(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent Ti(2) atoms. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Ti(2) and three equivalent Ti(1) atoms. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Ti(2) and four equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ti2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   7.030
_cell_length_c   10.443
_cell_angle_alpha   90.001
_cell_angle_beta   106.652
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   419.657
_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  0.081  0.453  0.161  1.0
  Ti  Ti1  1  0.587  0.250  0.674  1.0
  Ti  Ti2  1  0.914  0.750  0.326  1.0
  Ti  Ti3  1  0.414  0.750  0.326  1.0
  Ti  Ti4  1  0.581  0.048  0.161  1.0
  Ti  Ti5  1  0.087  0.250  0.673  1.0
  Ti  Ti6  1  0.920  0.548  0.839  1.0
  Ti  Ti7  1  0.420  0.953  0.839  1.0
  Sn  Sn8  1  0.225  0.429  0.449  1.0
  Sn  Sn9  1  0.879  0.927  0.757  1.0
  Sn  Sn10  1  0.725  0.072  0.449  1.0
  Sn  Sn11  1  0.276  0.929  0.551  1.0
  Sn  Sn12  1  0.772  0.751  0.041  1.0
  Sn  Sn13  1  0.123  0.074  0.243  1.0
  Sn  Sn14  1  0.379  0.574  0.757  1.0
  Sn  Sn15  1  0.730  0.251  0.959  1.0
  Sn  Sn16  1  0.776  0.572  0.551  1.0
  Sn  Sn17  1  0.272  0.750  0.041  1.0
  Sn  Sn18  1  0.230  0.250  0.959  1.0
  Sn  Sn19  1  0.623  0.427  0.243  1.0
[/CIF]
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