The material described by Tm3Cu4Sn4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to four equivalent Cu(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the second Tm site, Tm(2) is bonded in a 13-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), three equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to three equivalent Tm(2), one Cu(2), one Sn(2), and three equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to two equivalent Tm(1), three equivalent Tm(2), one Cu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Tm(1), three equivalent Tm(2), three equivalent Cu(1), and three equivalent Cu(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), one Cu(1), one Cu(2), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Tm3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.389
_cell_length_b   6.890
_cell_length_c   8.287
_cell_angle_alpha   113.798
_cell_angle_beta   105.356
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.486
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Tm  Tm1  1  0.870  0.856  0.739  1.0
  Tm  Tm2  1  0.130  0.144  0.261  1.0
  Cu  Cu3  1  0.684  0.879  0.369  1.0
  Cu  Cu4  1  0.316  0.121  0.631  1.0
  Cu  Cu5  1  0.659  0.478  0.318  1.0
  Cu  Cu6  1  0.341  0.522  0.682  1.0
  Sn  Sn7  1  0.783  0.300  0.566  1.0
  Sn  Sn8  1  0.217  0.700  0.434  1.0
  Sn  Sn9  1  0.490  0.194  0.980  1.0
  Sn  Sn10  1  0.510  0.806  0.020  1.0
[/CIF]
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The material described by Tm3Cu4Sn4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to four equivalent Cu(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the second Tm site, Tm(2) is bonded in a 13-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), three equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to three equivalent Tm(2), one Cu(2), one Sn(2), and three equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to two equivalent Tm(1), three equivalent Tm(2), one Cu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Tm(1), three equivalent Tm(2), three equivalent Cu(1), and three equivalent Cu(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), one Cu(1), one Cu(2), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Tm3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.389
_cell_length_b   6.890
_cell_length_c   8.287
_cell_angle_alpha   113.798
_cell_angle_beta   105.356
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.486
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Tm  Tm1  1  0.870  0.856  0.739  1.0
  Tm  Tm2  1  0.130  0.144  0.261  1.0
  Cu  Cu3  1  0.684  0.879  0.369  1.0
  Cu  Cu4  1  0.316  0.121  0.631  1.0
  Cu  Cu5  1  0.659  0.478  0.318  1.0
  Cu  Cu6  1  0.341  0.522  0.682  1.0
  Sn  Sn7  1  0.783  0.300  0.566  1.0
  Sn  Sn8  1  0.217  0.700  0.434  1.0
  Sn  Sn9  1  0.490  0.194  0.980  1.0
  Sn  Sn10  1  0.510  0.806  0.020  1.0
[/CIF]
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