The structure described by Tb5Au2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Au(1) and two equivalent Sb(1) atoms to form corner-sharing TbSb2Au4 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the second Tb site, Tb(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Sb(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1) and six equivalent Tb(2) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Tb(1) and eight equivalent Tb(2) atoms. is represented by the CIF card [CIF]
data_Tb5SbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.699
_cell_length_b   8.699
_cell_length_c   8.699
_cell_angle_alpha   124.113
_cell_angle_beta   124.113
_cell_angle_gamma   83.013
_symmetry_Int_Tables_number   1
_cell_volume   433.002
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Tb  Tb1  1  0.000  0.000  0.000  1.0
  Tb  Tb2  1  0.515  0.015  0.814  1.0
  Tb  Tb3  1  0.201  0.701  0.186  1.0
  Tb  Tb4  1  0.015  0.201  0.500  1.0
  Tb  Tb5  1  0.701  0.515  0.500  1.0
  Tb  Tb6  1  0.485  0.985  0.186  1.0
  Tb  Tb7  1  0.799  0.299  0.814  1.0
  Tb  Tb8  1  0.985  0.799  0.500  1.0
  Tb  Tb9  1  0.299  0.485  0.500  1.0
  Sb  Sb10  1  0.250  0.250  0.000  1.0
  Sb  Sb11  1  0.750  0.750  0.000  1.0
  Au  Au12  1  0.136  0.636  0.773  1.0
  Au  Au13  1  0.864  0.364  0.227  1.0
  Au  Au14  1  0.636  0.864  0.500  1.0
  Au  Au15  1  0.364  0.136  0.500  1.0
[/CIF]
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The structure described by Tb5Au2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Au(1) and two equivalent Sb(1) atoms to form corner-sharing TbSb2Au4 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the second Tb site, Tb(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Sb(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1) and six equivalent Tb(2) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Tb(1) and eight equivalent Tb(2) atoms. is represented by the CIF card [CIF]
data_Tb5SbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.699
_cell_length_b   8.699
_cell_length_c   8.699
_cell_angle_alpha   124.113
_cell_angle_beta   124.113
_cell_angle_gamma   83.013
_symmetry_Int_Tables_number   1
_cell_volume   433.002
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Tb  Tb1  1  0.000  0.000  0.000  1.0
  Tb  Tb2  1  0.515  0.015  0.814  1.0
  Tb  Tb3  1  0.201  0.701  0.186  1.0
  Tb  Tb4  1  0.015  0.201  0.500  1.0
  Tb  Tb5  1  0.701  0.515  0.500  1.0
  Tb  Tb6  1  0.485  0.985  0.186  1.0
  Tb  Tb7  1  0.799  0.299  0.814  1.0
  Tb  Tb8  1  0.985  0.799  0.500  1.0
  Tb  Tb9  1  0.299  0.485  0.500  1.0
  Sb  Sb10  1  0.250  0.250  0.000  1.0
  Sb  Sb11  1  0.750  0.750  0.000  1.0
  Au  Au12  1  0.136  0.636  0.773  1.0
  Au  Au13  1  0.864  0.364  0.227  1.0
  Au  Au14  1  0.636  0.864  0.500  1.0
  Au  Au15  1  0.364  0.136  0.500  1.0
[/CIF]
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