The structure described by Lu5Pd2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted corner-sharing LuBi2Pd4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to three equivalent Pd(1) and two equivalent Bi(1) atoms. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Lu(1) and six equivalent Lu(2) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1) and eight equivalent Lu(2) atoms. is represented by the CIF file [CIF]
data_Lu5BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.627
_cell_length_b   8.627
_cell_length_c   8.627
_cell_angle_alpha   127.864
_cell_angle_beta   127.864
_cell_angle_gamma   76.845
_symmetry_Int_Tables_number   1
_cell_volume   388.483
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.000  1.0
  Lu  Lu2  1  0.794  0.294  0.807  1.0
  Lu  Lu3  1  0.206  0.706  0.193  1.0
  Lu  Lu4  1  0.487  0.987  0.193  1.0
  Lu  Lu5  1  0.294  0.487  0.500  1.0
  Lu  Lu6  1  0.013  0.206  0.500  1.0
  Lu  Lu7  1  0.513  0.013  0.807  1.0
  Lu  Lu8  1  0.706  0.513  0.500  1.0
  Lu  Lu9  1  0.987  0.794  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  0.139  0.639  0.778  1.0
  Pd  Pd13  1  0.861  0.361  0.222  1.0
  Pd  Pd14  1  0.639  0.861  0.500  1.0
  Pd  Pd15  1  0.361  0.139  0.500  1.0
[/CIF]
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The structure described by Lu5Pd2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted corner-sharing LuBi2Pd4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to three equivalent Pd(1) and two equivalent Bi(1) atoms. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Lu(1) and six equivalent Lu(2) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1) and eight equivalent Lu(2) atoms. is represented by the CIF file [CIF]
data_Lu5BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.627
_cell_length_b   8.627
_cell_length_c   8.627
_cell_angle_alpha   127.864
_cell_angle_beta   127.864
_cell_angle_gamma   76.845
_symmetry_Int_Tables_number   1
_cell_volume   388.483
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.000  1.0
  Lu  Lu2  1  0.794  0.294  0.807  1.0
  Lu  Lu3  1  0.206  0.706  0.193  1.0
  Lu  Lu4  1  0.487  0.987  0.193  1.0
  Lu  Lu5  1  0.294  0.487  0.500  1.0
  Lu  Lu6  1  0.013  0.206  0.500  1.0
  Lu  Lu7  1  0.513  0.013  0.807  1.0
  Lu  Lu8  1  0.706  0.513  0.500  1.0
  Lu  Lu9  1  0.987  0.794  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  0.139  0.639  0.778  1.0
  Pd  Pd13  1  0.861  0.361  0.222  1.0
  Pd  Pd14  1  0.639  0.861  0.500  1.0
  Pd  Pd15  1  0.361  0.139  0.500  1.0
[/CIF]
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