The material structure described by Tm2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Au(1) atoms to form a mixture of edge and corner-sharing TmAu4 tetrahedra. In the second Tm site, Tm(2) is bonded in a 3-coordinate geometry to five equivalent Au(1) atoms. Au(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1) and five equivalent Tm(2) atoms. is represented by the CIF file [CIF]
data_Tm2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   6.985
_cell_length_c   8.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.061
_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
  Tm  Tm0  1  0.750  0.648  0.581  1.0
  Tm  Tm1  1  0.750  0.148  0.919  1.0
  Tm  Tm2  1  0.250  0.352  0.419  1.0
  Tm  Tm3  1  0.250  0.852  0.081  1.0
  Tm  Tm4  1  0.750  0.013  0.324  1.0
  Tm  Tm5  1  0.750  0.513  0.176  1.0
  Tm  Tm6  1  0.250  0.987  0.676  1.0
  Tm  Tm7  1  0.250  0.487  0.824  1.0
  Au  Au8  1  0.750  0.243  0.597  1.0
  Au  Au9  1  0.750  0.743  0.903  1.0
  Au  Au10  1  0.250  0.757  0.403  1.0
  Au  Au11  1  0.250  0.257  0.097  1.0
[/CIF]
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The material structure described by Tm2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Au(1) atoms to form a mixture of edge and corner-sharing TmAu4 tetrahedra. In the second Tm site, Tm(2) is bonded in a 3-coordinate geometry to five equivalent Au(1) atoms. Au(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1) and five equivalent Tm(2) atoms. is represented by the CIF file [CIF]
data_Tm2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   6.985
_cell_length_c   8.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.061
_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
  Tm  Tm0  1  0.750  0.648  0.581  1.0
  Tm  Tm1  1  0.750  0.148  0.919  1.0
  Tm  Tm2  1  0.250  0.352  0.419  1.0
  Tm  Tm3  1  0.250  0.852  0.081  1.0
  Tm  Tm4  1  0.750  0.013  0.324  1.0
  Tm  Tm5  1  0.750  0.513  0.176  1.0
  Tm  Tm6  1  0.250  0.987  0.676  1.0
  Tm  Tm7  1  0.250  0.487  0.824  1.0
  Au  Au8  1  0.750  0.243  0.597  1.0
  Au  Au9  1  0.750  0.743  0.903  1.0
  Au  Au10  1  0.250  0.757  0.403  1.0
  Au  Au11  1  0.250  0.257  0.097  1.0
[/CIF]
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