The material described by TbAuAs2 crystallizes in the orthorhombic Cmce space group. Tb(1) is bonded in a 12-coordinate geometry to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms. Au(1) is bonded to four equivalent Tb(1), four equivalent Au(1), and four equivalent As(1) atoms to form a mixture of distorted corner and face-sharing AuTb4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Tb(1) and four equivalent Au(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Tb(1) and four equivalent As(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.026
_cell_length_b   4.026
_cell_length_c   20.620
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.800
_symmetry_Int_Tables_number   1
_cell_volume   334.207
_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  0.235  0.735  0.616  1.0
  Tb  Tb1  1  0.765  0.265  0.384  1.0
  Tb  Tb2  1  0.735  0.235  0.884  1.0
  Tb  Tb3  1  0.265  0.765  0.116  1.0
  As  As4  1  0.737  0.237  0.653  1.0
  As  As5  1  0.263  0.763  0.347  1.0
  As  As6  1  0.237  0.737  0.847  1.0
  As  As7  1  0.763  0.263  0.153  1.0
  As  As8  1  0.269  0.231  0.500  1.0
  As  As9  1  0.231  0.269  0.000  1.0
  As  As10  1  0.731  0.769  0.500  1.0
  As  As11  1  0.769  0.731  0.000  1.0
  Au  Au12  1  0.197  0.197  0.750  1.0
  Au  Au13  1  0.303  0.303  0.250  1.0
  Au  Au14  1  0.803  0.803  0.250  1.0
  Au  Au15  1  0.697  0.697  0.750  1.0
[/CIF]
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The material described by TbAuAs2 crystallizes in the orthorhombic Cmce space group. Tb(1) is bonded in a 12-coordinate geometry to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms. Au(1) is bonded to four equivalent Tb(1), four equivalent Au(1), and four equivalent As(1) atoms to form a mixture of distorted corner and face-sharing AuTb4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Tb(1) and four equivalent Au(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Tb(1) and four equivalent As(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.026
_cell_length_b   4.026
_cell_length_c   20.620
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.800
_symmetry_Int_Tables_number   1
_cell_volume   334.207
_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  0.235  0.735  0.616  1.0
  Tb  Tb1  1  0.765  0.265  0.384  1.0
  Tb  Tb2  1  0.735  0.235  0.884  1.0
  Tb  Tb3  1  0.265  0.765  0.116  1.0
  As  As4  1  0.737  0.237  0.653  1.0
  As  As5  1  0.263  0.763  0.347  1.0
  As  As6  1  0.237  0.737  0.847  1.0
  As  As7  1  0.763  0.263  0.153  1.0
  As  As8  1  0.269  0.231  0.500  1.0
  As  As9  1  0.231  0.269  0.000  1.0
  As  As10  1  0.731  0.769  0.500  1.0
  As  As11  1  0.769  0.731  0.000  1.0
  Au  Au12  1  0.197  0.197  0.750  1.0
  Au  Au13  1  0.303  0.303  0.250  1.0
  Au  Au14  1  0.803  0.803  0.250  1.0
  Au  Au15  1  0.697  0.697  0.750  1.0
[/CIF]
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