The crystal structure described by Tb2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Au(1) atoms to form a mixture of corner and edge-sharing TbAu4 tetrahedra. In the second Tb site, Tb(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Tb(2) and four equivalent Tb(1) atoms. is represented by the CIF card [CIF]
data_Tb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.975
_cell_length_b   7.110
_cell_length_c   8.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.714
_cell_formula_units_Z   4
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  0.750  0.649  0.585  1.0
  Tb  Tb1  1  0.750  0.149  0.915  1.0
  Tb  Tb2  1  0.250  0.351  0.415  1.0
  Tb  Tb3  1  0.250  0.851  0.085  1.0
  Tb  Tb4  1  0.750  0.010  0.325  1.0
  Tb  Tb5  1  0.750  0.510  0.175  1.0
  Tb  Tb6  1  0.250  0.990  0.675  1.0
  Tb  Tb7  1  0.250  0.490  0.825  1.0
  Au  Au8  1  0.750  0.242  0.595  1.0
  Au  Au9  1  0.750  0.742  0.905  1.0
  Au  Au10  1  0.250  0.758  0.405  1.0
  Au  Au11  1  0.250  0.258  0.095  1.0
[/CIF]
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The crystal structure described by Tb2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Au(1) atoms to form a mixture of corner and edge-sharing TbAu4 tetrahedra. In the second Tb site, Tb(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Tb(2) and four equivalent Tb(1) atoms. is represented by the CIF card [CIF]
data_Tb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.975
_cell_length_b   7.110
_cell_length_c   8.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.714
_cell_formula_units_Z   4
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  0.750  0.649  0.585  1.0
  Tb  Tb1  1  0.750  0.149  0.915  1.0
  Tb  Tb2  1  0.250  0.351  0.415  1.0
  Tb  Tb3  1  0.250  0.851  0.085  1.0
  Tb  Tb4  1  0.750  0.010  0.325  1.0
  Tb  Tb5  1  0.750  0.510  0.175  1.0
  Tb  Tb6  1  0.250  0.990  0.675  1.0
  Tb  Tb7  1  0.250  0.490  0.825  1.0
  Au  Au8  1  0.750  0.242  0.595  1.0
  Au  Au9  1  0.750  0.742  0.905  1.0
  Au  Au10  1  0.250  0.758  0.405  1.0
  Au  Au11  1  0.250  0.258  0.095  1.0
[/CIF]
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