The material described by Y5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent Cu(1) and five equivalent Pb(1) atoms. In the second Y site, Y(2) is bonded to six equivalent Pb(1) atoms to form a mixture of distorted edge, corner, and face-sharing YPb6 octahedra. The corner-sharing octahedral tilt angles are 35°. Cu(1) is bonded to six equivalent Y(1) atoms to form face-sharing CuY6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Y(2) and five equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_Y5CuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.950
_cell_length_b   8.950
_cell_length_c   6.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   470.279
_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  0.748  0.750  1.0
  Y  Y1  1  0.333  0.667  0.500  1.0
  Y  Y2  1  0.333  0.667  0.000  1.0
  Y  Y3  1  0.748  0.748  0.250  1.0
  Y  Y4  1  0.252  0.252  0.750  1.0
  Y  Y5  1  0.000  0.252  0.250  1.0
  Y  Y6  1  0.667  0.333  0.500  1.0
  Y  Y7  1  0.252  0.000  0.250  1.0
  Y  Y8  1  0.748  0.000  0.750  1.0
  Y  Y9  1  0.667  0.333  0.000  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Pb  Pb12  1  0.391  0.000  0.750  1.0
  Pb  Pb13  1  0.391  0.391  0.250  1.0
  Pb  Pb14  1  0.609  0.609  0.750  1.0
  Pb  Pb15  1  0.000  0.609  0.250  1.0
  Pb  Pb16  1  0.000  0.391  0.750  1.0
  Pb  Pb17  1  0.609  0.000  0.250  1.0
[/CIF]
.
The material described by Y5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent Cu(1) and five equivalent Pb(1) atoms. In the second Y site, Y(2) is bonded to six equivalent Pb(1) atoms to form a mixture of distorted edge, corner, and face-sharing YPb6 octahedra. The corner-sharing octahedral tilt angles are 35°. Cu(1) is bonded to six equivalent Y(1) atoms to form face-sharing CuY6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Y(2) and five equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_Y5CuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.950
_cell_length_b   8.950
_cell_length_c   6.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   470.279
_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  0.748  0.750  1.0
  Y  Y1  1  0.333  0.667  0.500  1.0
  Y  Y2  1  0.333  0.667  0.000  1.0
  Y  Y3  1  0.748  0.748  0.250  1.0
  Y  Y4  1  0.252  0.252  0.750  1.0
  Y  Y5  1  0.000  0.252  0.250  1.0
  Y  Y6  1  0.667  0.333  0.500  1.0
  Y  Y7  1  0.252  0.000  0.250  1.0
  Y  Y8  1  0.748  0.000  0.750  1.0
  Y  Y9  1  0.667  0.333  0.000  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Pb  Pb12  1  0.391  0.000  0.750  1.0
  Pb  Pb13  1  0.391  0.391  0.250  1.0
  Pb  Pb14  1  0.609  0.609  0.750  1.0
  Pb  Pb15  1  0.000  0.609  0.250  1.0
  Pb  Pb16  1  0.000  0.391  0.750  1.0
  Pb  Pb17  1  0.609  0.000  0.250  1.0
[/CIF]
.