The crystal structure described by CuSn3Ti5 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the second Ti site, Ti(2) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(1), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the third Ti site, Ti(3) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the fifth Ti site, Ti(5) is bonded in a 8-coordinate geometry to two equivalent Ti(5), one Sn(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. Cu(1) is bonded to one Ti(1), one Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms to form distorted face-sharing CuTi6 octahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(5) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(1), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5CuSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   8.169
_cell_length_c   5.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   321.800
_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  0.267  0.000  0.750  1.0
  Ti  Ti1  1  0.733  0.000  0.250  1.0
  Ti  Ti2  1  0.001  0.267  0.750  1.0
  Ti  Ti3  1  0.001  0.733  0.250  1.0
  Ti  Ti4  1  0.733  0.733  0.750  1.0
  Ti  Ti5  1  0.267  0.266  0.250  1.0
  Ti  Ti6  1  0.334  0.667  0.500  1.0
  Ti  Ti7  1  0.667  0.333  0.500  1.0
  Ti  Ti8  1  0.667  0.333  0.000  1.0
  Ti  Ti9  1  0.334  0.667  0.000  1.0
  Cu  Cu10  1  0.998  1.000  0.500  1.0
  Cu  Cu11  1  0.998  0.999  0.000  1.0
  Sn  Sn12  1  0.617  0.000  0.750  1.0
  Sn  Sn13  1  0.384  0.000  0.250  1.0
  Sn  Sn14  1  0.000  0.617  0.750  1.0
  Sn  Sn15  1  0.000  0.383  0.250  1.0
  Sn  Sn16  1  0.384  0.383  0.750  1.0
  Sn  Sn17  1  0.617  0.617  0.250  1.0
[/CIF]
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The crystal structure described by CuSn3Ti5 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the second Ti site, Ti(2) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(1), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the third Ti site, Ti(3) is bonded to two equivalent Cu(1), one Sn(1), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent Cu(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiCu2Sn5 pentagonal bipyramids. In the fifth Ti site, Ti(5) is bonded in a 8-coordinate geometry to two equivalent Ti(5), one Sn(1), one Sn(2), two equivalent Sn(3), and two equivalent Sn(4) atoms. Cu(1) is bonded to one Ti(1), one Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms to form distorted face-sharing CuTi6 octahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(5) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(1), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5CuSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   8.169
_cell_length_c   5.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   321.800
_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  0.267  0.000  0.750  1.0
  Ti  Ti1  1  0.733  0.000  0.250  1.0
  Ti  Ti2  1  0.001  0.267  0.750  1.0
  Ti  Ti3  1  0.001  0.733  0.250  1.0
  Ti  Ti4  1  0.733  0.733  0.750  1.0
  Ti  Ti5  1  0.267  0.266  0.250  1.0
  Ti  Ti6  1  0.334  0.667  0.500  1.0
  Ti  Ti7  1  0.667  0.333  0.500  1.0
  Ti  Ti8  1  0.667  0.333  0.000  1.0
  Ti  Ti9  1  0.334  0.667  0.000  1.0
  Cu  Cu10  1  0.998  1.000  0.500  1.0
  Cu  Cu11  1  0.998  0.999  0.000  1.0
  Sn  Sn12  1  0.617  0.000  0.750  1.0
  Sn  Sn13  1  0.384  0.000  0.250  1.0
  Sn  Sn14  1  0.000  0.617  0.750  1.0
  Sn  Sn15  1  0.000  0.383  0.250  1.0
  Sn  Sn16  1  0.384  0.383  0.750  1.0
  Sn  Sn17  1  0.617  0.617  0.250  1.0
[/CIF]
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