The material structure described by Tm3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Tm site, Tm(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), 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(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), four equivalent Tm(2), and two equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Tm(1), five equivalent Tm(2), three equivalent Fe(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Tm3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.573
_cell_length_c   13.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.365
_symmetry_Int_Tables_number   1
_cell_volume   282.829
_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  0.637  0.363  0.250  1.0
  Tm  Tm1  1  0.363  0.637  0.750  1.0
  Tm  Tm2  1  0.921  0.079  0.112  1.0
  Tm  Tm3  1  0.079  0.921  0.888  1.0
  Tm  Tm4  1  0.079  0.921  0.612  1.0
  Tm  Tm5  1  0.921  0.079  0.388  1.0
  Fe  Fe6  1  0.786  0.214  0.581  1.0
  Fe  Fe7  1  0.214  0.786  0.419  1.0
  Fe  Fe8  1  0.214  0.786  0.081  1.0
  Fe  Fe9  1  0.786  0.214  0.919  1.0
  Si  Si10  1  0.327  0.673  0.250  1.0
  Si  Si11  1  0.673  0.327  0.750  1.0
  Si  Si12  1  0.624  0.376  0.040  1.0
  Si  Si13  1  0.376  0.624  0.960  1.0
  Si  Si14  1  0.376  0.624  0.540  1.0
  Si  Si15  1  0.624  0.376  0.460  1.0
[/CIF]
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The material structure described by Tm3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Tm site, Tm(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), 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(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), four equivalent Tm(2), and two equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Tm(1), five equivalent Tm(2), three equivalent Fe(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Tm3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.573
_cell_length_c   13.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.365
_symmetry_Int_Tables_number   1
_cell_volume   282.829
_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  0.637  0.363  0.250  1.0
  Tm  Tm1  1  0.363  0.637  0.750  1.0
  Tm  Tm2  1  0.921  0.079  0.112  1.0
  Tm  Tm3  1  0.079  0.921  0.888  1.0
  Tm  Tm4  1  0.079  0.921  0.612  1.0
  Tm  Tm5  1  0.921  0.079  0.388  1.0
  Fe  Fe6  1  0.786  0.214  0.581  1.0
  Fe  Fe7  1  0.214  0.786  0.419  1.0
  Fe  Fe8  1  0.214  0.786  0.081  1.0
  Fe  Fe9  1  0.786  0.214  0.919  1.0
  Si  Si10  1  0.327  0.673  0.250  1.0
  Si  Si11  1  0.673  0.327  0.750  1.0
  Si  Si12  1  0.624  0.376  0.040  1.0
  Si  Si13  1  0.376  0.624  0.960  1.0
  Si  Si14  1  0.376  0.624  0.540  1.0
  Si  Si15  1  0.624  0.376  0.460  1.0
[/CIF]
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