The material described by CuSnTi3 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1), three equivalent Ti(2), three equivalent Cu(1), and three equivalent Sn(1) atoms. In the second Ti site, Ti(2) is bonded to six equivalent Ti(1), two equivalent Cu(1), and three equivalent Sn(1) atoms to form a mixture of face and corner-sharing TiTi6Cu2Sn3 trigonal bipyramids. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(2) and six equivalent Ti(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Ti(2) and six equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti3CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   4.704
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   97.282
_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  1.000  0.483  1.0
  Ti  Ti1  1  0.000  1.000  0.017  1.0
  Ti  Ti2  1  0.333  0.333  0.250  1.0
  Cu  Cu3  1  0.333  0.333  0.750  1.0
  Sn  Sn4  1  0.667  0.667  0.250  1.0
[/CIF]
.
The material described by CuSnTi3 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1), three equivalent Ti(2), three equivalent Cu(1), and three equivalent Sn(1) atoms. In the second Ti site, Ti(2) is bonded to six equivalent Ti(1), two equivalent Cu(1), and three equivalent Sn(1) atoms to form a mixture of face and corner-sharing TiTi6Cu2Sn3 trigonal bipyramids. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(2) and six equivalent Ti(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Ti(2) and six equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti3CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   4.704
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   97.282
_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  1.000  0.483  1.0
  Ti  Ti1  1  0.000  1.000  0.017  1.0
  Ti  Ti2  1  0.333  0.333  0.250  1.0
  Cu  Cu3  1  0.333  0.333  0.750  1.0
  Sn  Sn4  1  0.667  0.667  0.250  1.0
[/CIF]
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