The material structure described by Y3Cu4Sn4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Sn(1) and four equivalent Sn(2) atoms to form distorted edge-sharing YSn6 octahedra. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Sn(1), and four equivalent Sn(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Y(2), one Cu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(2), and six equivalent Cu(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), two equivalent Cu(1), and one Sn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.406
_cell_length_b   8.406
_cell_length_c   8.406
_cell_angle_alpha   149.274
_cell_angle_beta   131.259
_cell_angle_gamma   58.729
_symmetry_Int_Tables_number   1
_cell_volume   226.355
_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  0.000  0.500  1.0
  Y  Y1  1  0.868  0.868  0.000  1.0
  Y  Y2  1  0.132  0.132  0.000  1.0
  Cu  Cu3  1  0.484  0.671  0.813  1.0
  Cu  Cu4  1  0.858  0.671  0.187  1.0
  Cu  Cu5  1  0.142  0.329  0.813  1.0
  Cu  Cu6  1  0.516  0.329  0.187  1.0
  Sn  Sn7  1  0.284  0.784  0.500  1.0
  Sn  Sn8  1  0.716  0.216  0.500  1.0
  Sn  Sn9  1  0.798  0.500  0.298  1.0
  Sn  Sn10  1  0.202  0.500  0.702  1.0
[/CIF]
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The material structure described by Y3Cu4Sn4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Sn(1) and four equivalent Sn(2) atoms to form distorted edge-sharing YSn6 octahedra. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Sn(1), and four equivalent Sn(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Y(2), one Cu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(2), and six equivalent Cu(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), two equivalent Cu(1), and one Sn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.406
_cell_length_b   8.406
_cell_length_c   8.406
_cell_angle_alpha   149.274
_cell_angle_beta   131.259
_cell_angle_gamma   58.729
_symmetry_Int_Tables_number   1
_cell_volume   226.355
_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  0.000  0.500  1.0
  Y  Y1  1  0.868  0.868  0.000  1.0
  Y  Y2  1  0.132  0.132  0.000  1.0
  Cu  Cu3  1  0.484  0.671  0.813  1.0
  Cu  Cu4  1  0.858  0.671  0.187  1.0
  Cu  Cu5  1  0.142  0.329  0.813  1.0
  Cu  Cu6  1  0.516  0.329  0.187  1.0
  Sn  Sn7  1  0.284  0.784  0.500  1.0
  Sn  Sn8  1  0.716  0.216  0.500  1.0
  Sn  Sn9  1  0.798  0.500  0.298  1.0
  Sn  Sn10  1  0.202  0.500  0.702  1.0
[/CIF]
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