The structure described by Tm3FeSi3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the second Tm site, Tm(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(3), and five equivalent Si(1) atoms. In the third Tm site, Tm(3) is bonded in a 7-coordinate geometry to two equivalent Si(3) and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), one Si(3), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Tm(1), five equivalent Tm(2), three equivalent Fe(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Tm(1), five equivalent Tm(3), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Tm(2), two equivalent Tm(3), three equivalent Tm(1), one Fe(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm3FeSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.098
_cell_length_b   5.542
_cell_length_c   12.559
_cell_angle_alpha   85.072
_cell_angle_beta   80.611
_cell_angle_gamma   68.304
_symmetry_Int_Tables_number   1
_cell_volume   261.370
_cell_formula_units_Z   2
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  0.749  0.732  0.770  1.0
  Tm  Tm1  1  0.251  0.268  0.230  1.0
  Tm  Tm2  1  0.525  0.329  0.620  1.0
  Tm  Tm3  1  0.475  0.671  0.380  1.0
  Tm  Tm4  1  0.400  0.282  0.919  1.0
  Tm  Tm5  1  0.600  0.718  0.081  1.0
  Fe  Fe6  1  0.753  0.078  0.416  1.0
  Fe  Fe7  1  0.247  0.922  0.584  1.0
  Si  Si8  1  0.145  0.254  0.456  1.0
  Si  Si9  1  0.855  0.746  0.544  1.0
  Si  Si10  1  0.116  0.845  0.924  1.0
  Si  Si11  1  0.884  0.155  0.076  1.0
  Si  Si12  1  0.055  0.132  0.757  1.0
  Si  Si13  1  0.945  0.868  0.243  1.0
[/CIF]
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The structure described by Tm3FeSi3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the second Tm site, Tm(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(3), and five equivalent Si(1) atoms. In the third Tm site, Tm(3) is bonded in a 7-coordinate geometry to two equivalent Si(3) and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), one Si(3), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Tm(1), five equivalent Tm(2), three equivalent Fe(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Tm(1), five equivalent Tm(3), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Tm(2), two equivalent Tm(3), three equivalent Tm(1), one Fe(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm3FeSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.098
_cell_length_b   5.542
_cell_length_c   12.559
_cell_angle_alpha   85.072
_cell_angle_beta   80.611
_cell_angle_gamma   68.304
_symmetry_Int_Tables_number   1
_cell_volume   261.370
_cell_formula_units_Z   2
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  0.749  0.732  0.770  1.0
  Tm  Tm1  1  0.251  0.268  0.230  1.0
  Tm  Tm2  1  0.525  0.329  0.620  1.0
  Tm  Tm3  1  0.475  0.671  0.380  1.0
  Tm  Tm4  1  0.400  0.282  0.919  1.0
  Tm  Tm5  1  0.600  0.718  0.081  1.0
  Fe  Fe6  1  0.753  0.078  0.416  1.0
  Fe  Fe7  1  0.247  0.922  0.584  1.0
  Si  Si8  1  0.145  0.254  0.456  1.0
  Si  Si9  1  0.855  0.746  0.544  1.0
  Si  Si10  1  0.116  0.845  0.924  1.0
  Si  Si11  1  0.884  0.155  0.076  1.0
  Si  Si12  1  0.055  0.132  0.757  1.0
  Si  Si13  1  0.945  0.868  0.243  1.0
[/CIF]
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