The material described by Tm2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and four equivalent Sn(1) atoms. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) and four equivalent Sn(1) atoms. Au(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), three equivalent Tm(2), one Au(1), and two equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Tm(1), four equivalent Tm(2), and four equivalent Au(1) atoms to form a mixture of corner and face-sharing SnTm8Au4 cuboctahedra. is represented by the CIF file [CIF]
data_Tm2SnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   7.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.521
_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  0.678  0.322  0.500  1.0
  Tm  Tm1  1  0.322  0.678  0.500  1.0
  Tm  Tm2  1  0.178  0.178  0.000  1.0
  Tm  Tm3  1  0.822  0.822  0.000  1.0
  Tm  Tm4  1  0.839  0.839  0.500  1.0
  Tm  Tm5  1  0.161  0.161  0.500  1.0
  Tm  Tm6  1  0.339  0.661  0.000  1.0
  Tm  Tm7  1  0.661  0.339  0.000  1.0
  Sn  Sn8  1  0.500  0.000  0.250  1.0
  Sn  Sn9  1  0.000  0.500  0.750  1.0
  Sn  Sn10  1  0.500  0.000  0.750  1.0
  Sn  Sn11  1  0.000  0.500  0.250  1.0
  Au  Au12  1  0.872  0.128  0.233  1.0
  Au  Au13  1  0.128  0.872  0.233  1.0
  Au  Au14  1  0.372  0.372  0.733  1.0
  Au  Au15  1  0.628  0.628  0.733  1.0
  Au  Au16  1  0.128  0.872  0.767  1.0
  Au  Au17  1  0.872  0.128  0.767  1.0
  Au  Au18  1  0.628  0.628  0.267  1.0
  Au  Au19  1  0.372  0.372  0.267  1.0
[/CIF]
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The material described by Tm2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and four equivalent Sn(1) atoms. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) and four equivalent Sn(1) atoms. Au(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), three equivalent Tm(2), one Au(1), and two equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Tm(1), four equivalent Tm(2), and four equivalent Au(1) atoms to form a mixture of corner and face-sharing SnTm8Au4 cuboctahedra. is represented by the CIF file [CIF]
data_Tm2SnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   7.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.521
_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  0.678  0.322  0.500  1.0
  Tm  Tm1  1  0.322  0.678  0.500  1.0
  Tm  Tm2  1  0.178  0.178  0.000  1.0
  Tm  Tm3  1  0.822  0.822  0.000  1.0
  Tm  Tm4  1  0.839  0.839  0.500  1.0
  Tm  Tm5  1  0.161  0.161  0.500  1.0
  Tm  Tm6  1  0.339  0.661  0.000  1.0
  Tm  Tm7  1  0.661  0.339  0.000  1.0
  Sn  Sn8  1  0.500  0.000  0.250  1.0
  Sn  Sn9  1  0.000  0.500  0.750  1.0
  Sn  Sn10  1  0.500  0.000  0.750  1.0
  Sn  Sn11  1  0.000  0.500  0.250  1.0
  Au  Au12  1  0.872  0.128  0.233  1.0
  Au  Au13  1  0.128  0.872  0.233  1.0
  Au  Au14  1  0.372  0.372  0.733  1.0
  Au  Au15  1  0.628  0.628  0.733  1.0
  Au  Au16  1  0.128  0.872  0.767  1.0
  Au  Au17  1  0.872  0.128  0.767  1.0
  Au  Au18  1  0.628  0.628  0.267  1.0
  Au  Au19  1  0.372  0.372  0.267  1.0
[/CIF]
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