The material structure described by Tm3Cu4Si4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Tm site, Tm(2) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted edge-sharing TmSi6 octahedra. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Tm(1), one Cu(1), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Tm(2), two equivalent Tm(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Tm(2), four equivalent Tm(1), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Tm3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.738
_cell_length_b   7.738
_cell_length_c   7.738
_cell_angle_alpha   149.523
_cell_angle_beta   130.592
_cell_angle_gamma   59.170
_symmetry_Int_Tables_number   1
_cell_volume   177.071
_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  0.370  0.870  0.500  1.0
  Tm  Tm1  1  0.630  0.130  0.500  1.0
  Tm  Tm2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.639  0.330  0.309  1.0
  Cu  Cu4  1  0.361  0.670  0.691  1.0
  Cu  Cu5  1  0.022  0.330  0.691  1.0
  Cu  Cu6  1  0.978  0.670  0.309  1.0
  Si  Si7  1  0.216  0.216  0.000  1.0
  Si  Si8  1  0.784  0.784  0.000  1.0
  Si  Si9  1  0.685  0.500  0.185  1.0
  Si  Si10  1  0.315  0.500  0.815  1.0
[/CIF]
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The material structure described by Tm3Cu4Si4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Tm site, Tm(2) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted edge-sharing TmSi6 octahedra. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Tm(1), one Cu(1), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Tm(2), two equivalent Tm(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Tm(2), four equivalent Tm(1), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Tm3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.738
_cell_length_b   7.738
_cell_length_c   7.738
_cell_angle_alpha   149.523
_cell_angle_beta   130.592
_cell_angle_gamma   59.170
_symmetry_Int_Tables_number   1
_cell_volume   177.071
_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  0.370  0.870  0.500  1.0
  Tm  Tm1  1  0.630  0.130  0.500  1.0
  Tm  Tm2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.639  0.330  0.309  1.0
  Cu  Cu4  1  0.361  0.670  0.691  1.0
  Cu  Cu5  1  0.022  0.330  0.691  1.0
  Cu  Cu6  1  0.978  0.670  0.309  1.0
  Si  Si7  1  0.216  0.216  0.000  1.0
  Si  Si8  1  0.784  0.784  0.000  1.0
  Si  Si9  1  0.685  0.500  0.185  1.0
  Si  Si10  1  0.315  0.500  0.815  1.0
[/CIF]
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