The crystal structure described by Y(CuSn)2 crystallizes in the tetragonal P4/nmm space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Sn(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Sn(2), and four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Y(1) and four equivalent Cu(2) atoms to form a mixture of distorted face and edge-sharing SnY4Cu4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Y(CuSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.375
_cell_length_b   4.375
_cell_length_c   10.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.068
_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
  Y  Y0  1  0.000  0.500  0.237  1.0
  Y  Y1  1  0.500  0.000  0.763  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.639  1.0
  Cu  Cu5  1  0.500  0.000  0.361  1.0
  Sn  Sn6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.500  0.500  1.0
  Sn  Sn8  1  0.000  0.500  0.869  1.0
  Sn  Sn9  1  0.500  0.000  0.131  1.0
[/CIF]
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The crystal structure described by Y(CuSn)2 crystallizes in the tetragonal P4/nmm space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Sn(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Sn(2), and four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Y(1) and four equivalent Cu(2) atoms to form a mixture of distorted face and edge-sharing SnY4Cu4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Y(CuSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.375
_cell_length_b   4.375
_cell_length_c   10.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.068
_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
  Y  Y0  1  0.000  0.500  0.237  1.0
  Y  Y1  1  0.500  0.000  0.763  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.639  1.0
  Cu  Cu5  1  0.500  0.000  0.361  1.0
  Sn  Sn6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.500  0.500  1.0
  Sn  Sn8  1  0.000  0.500  0.869  1.0
  Sn  Sn9  1  0.500  0.000  0.131  1.0
[/CIF]
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