The material structure described by Dy5Au2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Au(1) and two equivalent Bi(1) atoms to form corner-sharing DyBi2Au4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Dy site, Dy(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Bi(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Dy(1) and six equivalent Dy(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Dy(1) and eight equivalent Dy(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy5BiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.694
_cell_length_b   8.694
_cell_length_c   8.694
_cell_angle_alpha   124.419
_cell_angle_beta   124.419
_cell_angle_gamma   82.503
_symmetry_Int_Tables_number   1
_cell_volume   429.557
_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
  Dy  Dy0  1  0.500  0.500  0.000  1.0
  Dy  Dy1  1  0.000  0.000  0.000  1.0
  Dy  Dy2  1  0.515  0.015  0.809  1.0
  Dy  Dy3  1  0.206  0.706  0.191  1.0
  Dy  Dy4  1  0.015  0.206  0.500  1.0
  Dy  Dy5  1  0.706  0.515  0.500  1.0
  Dy  Dy6  1  0.485  0.985  0.191  1.0
  Dy  Dy7  1  0.794  0.294  0.809  1.0
  Dy  Dy8  1  0.985  0.794  0.500  1.0
  Dy  Dy9  1  0.294  0.485  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
  Au  Au12  1  0.138  0.638  0.776  1.0
  Au  Au13  1  0.862  0.362  0.224  1.0
  Au  Au14  1  0.638  0.862  0.500  1.0
  Au  Au15  1  0.362  0.138  0.500  1.0
[/CIF]
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The material structure described by Dy5Au2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Au(1) and two equivalent Bi(1) atoms to form corner-sharing DyBi2Au4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Dy site, Dy(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Bi(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Dy(1) and six equivalent Dy(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Dy(1) and eight equivalent Dy(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy5BiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.694
_cell_length_b   8.694
_cell_length_c   8.694
_cell_angle_alpha   124.419
_cell_angle_beta   124.419
_cell_angle_gamma   82.503
_symmetry_Int_Tables_number   1
_cell_volume   429.557
_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
  Dy  Dy0  1  0.500  0.500  0.000  1.0
  Dy  Dy1  1  0.000  0.000  0.000  1.0
  Dy  Dy2  1  0.515  0.015  0.809  1.0
  Dy  Dy3  1  0.206  0.706  0.191  1.0
  Dy  Dy4  1  0.015  0.206  0.500  1.0
  Dy  Dy5  1  0.706  0.515  0.500  1.0
  Dy  Dy6  1  0.485  0.985  0.191  1.0
  Dy  Dy7  1  0.794  0.294  0.809  1.0
  Dy  Dy8  1  0.985  0.794  0.500  1.0
  Dy  Dy9  1  0.294  0.485  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
  Au  Au12  1  0.138  0.638  0.776  1.0
  Au  Au13  1  0.862  0.362  0.224  1.0
  Au  Au14  1  0.638  0.862  0.500  1.0
  Au  Au15  1  0.362  0.138  0.500  1.0
[/CIF]
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