The structure described by Y5Pd2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted YBi2Pd4 octahedra that share corners with six equivalent Y(1)Bi2Pd4 octahedra, corners with sixteen equivalent Y(2)Bi2Pd3 trigonal bipyramids, and faces with eight equivalent Y(2)Bi2Pd3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-48°. In the second Y site, Y(2) is bonded to three equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted YBi2Pd3 trigonal bipyramids that share corners with four equivalent Y(1)Bi2Pd4 octahedra, corners with twelve equivalent Y(2)Bi2Pd3 trigonal bipyramids, edges with seven equivalent Y(2)Bi2Pd3 trigonal bipyramids, faces with two equivalent Y(1)Bi2Pd4 octahedra, and  a faceface with one Y(2)Bi2Pd3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-63°. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Y(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Y(1) and eight equivalent Y(2) atoms. is represented by the CIF file [CIF]
data_Y5BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.827
_cell_length_b   8.827
_cell_length_c   8.827
_cell_angle_alpha   127.311
_cell_angle_beta   127.311
_cell_angle_gamma   77.745
_symmetry_Int_Tables_number   1
_cell_volume   421.797
_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  0.000  0.000  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.795  0.295  0.809  1.0
  Y  Y3  1  0.205  0.705  0.191  1.0
  Y  Y4  1  0.486  0.986  0.191  1.0
  Y  Y5  1  0.295  0.486  0.500  1.0
  Y  Y6  1  0.014  0.205  0.500  1.0
  Y  Y7  1  0.514  0.014  0.809  1.0
  Y  Y8  1  0.705  0.514  0.500  1.0
  Y  Y9  1  0.986  0.795  0.500  1.0
  Bi  Bi10  1  0.250  0.250  0.000  1.0
  Bi  Bi11  1  0.750  0.750  0.000  1.0
  Pd  Pd12  1  0.138  0.638  0.775  1.0
  Pd  Pd13  1  0.862  0.362  0.225  1.0
  Pd  Pd14  1  0.638  0.862  0.500  1.0
  Pd  Pd15  1  0.362  0.138  0.500  1.0
[/CIF]
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The structure described by Y5Pd2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted YBi2Pd4 octahedra that share corners with six equivalent Y(1)Bi2Pd4 octahedra, corners with sixteen equivalent Y(2)Bi2Pd3 trigonal bipyramids, and faces with eight equivalent Y(2)Bi2Pd3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-48°. In the second Y site, Y(2) is bonded to three equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted YBi2Pd3 trigonal bipyramids that share corners with four equivalent Y(1)Bi2Pd4 octahedra, corners with twelve equivalent Y(2)Bi2Pd3 trigonal bipyramids, edges with seven equivalent Y(2)Bi2Pd3 trigonal bipyramids, faces with two equivalent Y(1)Bi2Pd4 octahedra, and  a faceface with one Y(2)Bi2Pd3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-63°. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Y(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Y(1) and eight equivalent Y(2) atoms. is represented by the CIF file [CIF]
data_Y5BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.827
_cell_length_b   8.827
_cell_length_c   8.827
_cell_angle_alpha   127.311
_cell_angle_beta   127.311
_cell_angle_gamma   77.745
_symmetry_Int_Tables_number   1
_cell_volume   421.797
_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  0.000  0.000  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.795  0.295  0.809  1.0
  Y  Y3  1  0.205  0.705  0.191  1.0
  Y  Y4  1  0.486  0.986  0.191  1.0
  Y  Y5  1  0.295  0.486  0.500  1.0
  Y  Y6  1  0.014  0.205  0.500  1.0
  Y  Y7  1  0.514  0.014  0.809  1.0
  Y  Y8  1  0.705  0.514  0.500  1.0
  Y  Y9  1  0.986  0.795  0.500  1.0
  Bi  Bi10  1  0.250  0.250  0.000  1.0
  Bi  Bi11  1  0.750  0.750  0.000  1.0
  Pd  Pd12  1  0.138  0.638  0.775  1.0
  Pd  Pd13  1  0.862  0.362  0.225  1.0
  Pd  Pd14  1  0.638  0.862  0.500  1.0
  Pd  Pd15  1  0.362  0.138  0.500  1.0
[/CIF]
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