The material described by Tm2Pd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 9-coordinate geometry to three equivalent Pd(1), four equivalent Pd(2), and two equivalent Si(1) atoms. In the second Tm site, Tm(2) is bonded in a 9-coordinate geometry to two equivalent Pd(2), three equivalent Pd(1), and four equivalent Si(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to three equivalent Tm(1), three equivalent Tm(2), and one Si(1) atom. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Tm(2), four equivalent Tm(1), one Pd(2), and two equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), one Pd(1), two equivalent Pd(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Tm2SiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.106
_cell_length_b   7.493
_cell_length_c   13.612
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.750
_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  0.500  0.043  0.374  1.0
  Tm  Tm1  1  0.500  0.957  0.626  1.0
  Tm  Tm2  1  0.000  0.543  0.126  1.0
  Tm  Tm3  1  0.000  0.457  0.874  1.0
  Tm  Tm4  1  0.500  0.949  0.131  1.0
  Tm  Tm5  1  0.500  0.051  0.869  1.0
  Tm  Tm6  1  0.000  0.449  0.369  1.0
  Tm  Tm7  1  0.000  0.551  0.631  1.0
  Si  Si8  1  0.500  0.653  0.472  1.0
  Si  Si9  1  0.500  0.347  0.528  1.0
  Si  Si10  1  0.000  0.153  0.028  1.0
  Si  Si11  1  0.000  0.847  0.972  1.0
  Pd  Pd12  1  0.500  0.673  0.281  1.0
  Pd  Pd13  1  0.500  0.327  0.719  1.0
  Pd  Pd14  1  0.000  0.173  0.219  1.0
  Pd  Pd15  1  0.000  0.827  0.781  1.0
  Pd  Pd16  1  0.500  0.679  0.981  1.0
  Pd  Pd17  1  0.500  0.321  0.019  1.0
  Pd  Pd18  1  0.000  0.179  0.519  1.0
  Pd  Pd19  1  0.000  0.821  0.481  1.0
[/CIF]
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The material described by Tm2Pd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 9-coordinate geometry to three equivalent Pd(1), four equivalent Pd(2), and two equivalent Si(1) atoms. In the second Tm site, Tm(2) is bonded in a 9-coordinate geometry to two equivalent Pd(2), three equivalent Pd(1), and four equivalent Si(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to three equivalent Tm(1), three equivalent Tm(2), and one Si(1) atom. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Tm(2), four equivalent Tm(1), one Pd(2), and two equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), one Pd(1), two equivalent Pd(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Tm2SiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.106
_cell_length_b   7.493
_cell_length_c   13.612
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.750
_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  0.500  0.043  0.374  1.0
  Tm  Tm1  1  0.500  0.957  0.626  1.0
  Tm  Tm2  1  0.000  0.543  0.126  1.0
  Tm  Tm3  1  0.000  0.457  0.874  1.0
  Tm  Tm4  1  0.500  0.949  0.131  1.0
  Tm  Tm5  1  0.500  0.051  0.869  1.0
  Tm  Tm6  1  0.000  0.449  0.369  1.0
  Tm  Tm7  1  0.000  0.551  0.631  1.0
  Si  Si8  1  0.500  0.653  0.472  1.0
  Si  Si9  1  0.500  0.347  0.528  1.0
  Si  Si10  1  0.000  0.153  0.028  1.0
  Si  Si11  1  0.000  0.847  0.972  1.0
  Pd  Pd12  1  0.500  0.673  0.281  1.0
  Pd  Pd13  1  0.500  0.327  0.719  1.0
  Pd  Pd14  1  0.000  0.173  0.219  1.0
  Pd  Pd15  1  0.000  0.827  0.781  1.0
  Pd  Pd16  1  0.500  0.679  0.981  1.0
  Pd  Pd17  1  0.500  0.321  0.019  1.0
  Pd  Pd18  1  0.000  0.179  0.519  1.0
  Pd  Pd19  1  0.000  0.821  0.481  1.0
[/CIF]
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