The crystal structure described by Er5Pd2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted corner-sharing ErBi2Pd4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Er site, Er(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 Er(1) and six equivalent Er(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   127.454
_cell_angle_beta   127.454
_cell_angle_gamma   77.512
_symmetry_Int_Tables_number   1
_cell_volume   402.786
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.000  1.0
  Er  Er2  1  0.794  0.294  0.807  1.0
  Er  Er3  1  0.206  0.706  0.193  1.0
  Er  Er4  1  0.486  0.986  0.193  1.0
  Er  Er5  1  0.294  0.486  0.500  1.0
  Er  Er6  1  0.014  0.206  0.500  1.0
  Er  Er7  1  0.514  0.014  0.807  1.0
  Er  Er8  1  0.706  0.514  0.500  1.0
  Er  Er9  1  0.986  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  0.138  0.638  0.777  1.0
  Pd  Pd13  1  0.862  0.362  0.223  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 crystal structure described by Er5Pd2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Pd(1) and two equivalent Bi(1) atoms to form distorted corner-sharing ErBi2Pd4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Er site, Er(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 Er(1) and six equivalent Er(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   127.454
_cell_angle_beta   127.454
_cell_angle_gamma   77.512
_symmetry_Int_Tables_number   1
_cell_volume   402.786
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.000  1.0
  Er  Er2  1  0.794  0.294  0.807  1.0
  Er  Er3  1  0.206  0.706  0.193  1.0
  Er  Er4  1  0.486  0.986  0.193  1.0
  Er  Er5  1  0.294  0.486  0.500  1.0
  Er  Er6  1  0.014  0.206  0.500  1.0
  Er  Er7  1  0.514  0.014  0.807  1.0
  Er  Er8  1  0.706  0.514  0.500  1.0
  Er  Er9  1  0.986  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  0.138  0.638  0.777  1.0
  Pd  Pd13  1  0.862  0.362  0.223  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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