The material structure described by Y2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded in a distorted linear geometry to one Cu(1) and one Sn(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Y(1), four equivalent Cu(1), and one Sn(2) atom to form distorted CuYCu4Sn octahedra that share  a cornercorner with one Sn(1)YCuSn4 octahedra, corners with five equivalent Cu(1)YCu4Sn octahedra, edges with four equivalent Cu(1)YCu4Sn octahedra, and edges with four equivalent Sn(2)Cu2Sn4 octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to four equivalent Cu(2) and two equivalent Sn(1) atoms to form distorted CuCu4Sn2 octahedra that share corners with four equivalent Cu(2)Cu4Sn2 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with eight equivalent Sn(1)YCuSn4 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Y(1), one Cu(2), and four equivalent Sn(1) atoms to form distorted SnYCuSn4 octahedra that share  a cornercorner with one Cu(1)YCu4Sn octahedra, corners with five equivalent Sn(1)YCuSn4 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with four equivalent Sn(1)YCuSn4 octahedra. The corner-sharing octahedra are not tilted. In the second Sn site, Sn(2) is bonded to two equivalent Cu(1) and four equivalent Sn(2) atoms to form SnCu2Sn4 octahedra that share corners with four equivalent Sn(2)Cu2Sn4 octahedra, edges with four equivalent Sn(2)Cu2Sn4 octahedra, and edges with eight equivalent Cu(1)YCu4Sn octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Y2(CuSn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.046
_cell_length_b   3.046
_cell_length_c   22.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.570
_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
  Y  Y0  1  0.500  0.500  0.756  1.0
  Y  Y1  1  0.500  0.500  0.244  1.0
  Cu  Cu2  1  0.500  0.500  0.117  1.0
  Cu  Cu3  1  0.500  0.500  0.883  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.386  1.0
  Sn  Sn6  1  0.500  0.500  0.614  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Y2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded in a distorted linear geometry to one Cu(1) and one Sn(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Y(1), four equivalent Cu(1), and one Sn(2) atom to form distorted CuYCu4Sn octahedra that share  a cornercorner with one Sn(1)YCuSn4 octahedra, corners with five equivalent Cu(1)YCu4Sn octahedra, edges with four equivalent Cu(1)YCu4Sn octahedra, and edges with four equivalent Sn(2)Cu2Sn4 octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to four equivalent Cu(2) and two equivalent Sn(1) atoms to form distorted CuCu4Sn2 octahedra that share corners with four equivalent Cu(2)Cu4Sn2 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with eight equivalent Sn(1)YCuSn4 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Y(1), one Cu(2), and four equivalent Sn(1) atoms to form distorted SnYCuSn4 octahedra that share  a cornercorner with one Cu(1)YCu4Sn octahedra, corners with five equivalent Sn(1)YCuSn4 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with four equivalent Sn(1)YCuSn4 octahedra. The corner-sharing octahedra are not tilted. In the second Sn site, Sn(2) is bonded to two equivalent Cu(1) and four equivalent Sn(2) atoms to form SnCu2Sn4 octahedra that share corners with four equivalent Sn(2)Cu2Sn4 octahedra, edges with four equivalent Sn(2)Cu2Sn4 octahedra, and edges with eight equivalent Cu(1)YCu4Sn octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Y2(CuSn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.046
_cell_length_b   3.046
_cell_length_c   22.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.570
_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
  Y  Y0  1  0.500  0.500  0.756  1.0
  Y  Y1  1  0.500  0.500  0.244  1.0
  Cu  Cu2  1  0.500  0.500  0.117  1.0
  Cu  Cu3  1  0.500  0.500  0.883  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.386  1.0
  Sn  Sn6  1  0.500  0.500  0.614  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
[/CIF]
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