The material described by Tb3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(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 Tb site, Tb(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), and four equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Tb(1), four equivalent Tb(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 Tb(1), four equivalent Tb(2), and two equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Tb(1), four equivalent Tb(2), and three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   5.698
_cell_length_c   13.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.959
_symmetry_Int_Tables_number   1
_cell_volume   297.040
_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
  Tb  Tb0  1  0.637  0.363  0.250  1.0
  Tb  Tb1  1  0.363  0.637  0.750  1.0
  Tb  Tb2  1  0.921  0.079  0.113  1.0
  Tb  Tb3  1  0.079  0.921  0.887  1.0
  Tb  Tb4  1  0.079  0.921  0.613  1.0
  Tb  Tb5  1  0.921  0.079  0.387  1.0
  Fe  Fe6  1  0.785  0.215  0.580  1.0
  Fe  Fe7  1  0.215  0.785  0.420  1.0
  Fe  Fe8  1  0.215  0.785  0.080  1.0
  Fe  Fe9  1  0.785  0.215  0.920  1.0
  Si  Si10  1  0.326  0.674  0.250  1.0
  Si  Si11  1  0.674  0.326  0.750  1.0
  Si  Si12  1  0.626  0.374  0.039  1.0
  Si  Si13  1  0.374  0.626  0.961  1.0
  Si  Si14  1  0.374  0.626  0.539  1.0
  Si  Si15  1  0.626  0.374  0.461  1.0
[/CIF]
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The material described by Tb3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(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 Tb site, Tb(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), and four equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Tb(1), four equivalent Tb(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 Tb(1), four equivalent Tb(2), and two equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Tb(1), four equivalent Tb(2), and three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   5.698
_cell_length_c   13.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.959
_symmetry_Int_Tables_number   1
_cell_volume   297.040
_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
  Tb  Tb0  1  0.637  0.363  0.250  1.0
  Tb  Tb1  1  0.363  0.637  0.750  1.0
  Tb  Tb2  1  0.921  0.079  0.113  1.0
  Tb  Tb3  1  0.079  0.921  0.887  1.0
  Tb  Tb4  1  0.079  0.921  0.613  1.0
  Tb  Tb5  1  0.921  0.079  0.387  1.0
  Fe  Fe6  1  0.785  0.215  0.580  1.0
  Fe  Fe7  1  0.215  0.785  0.420  1.0
  Fe  Fe8  1  0.215  0.785  0.080  1.0
  Fe  Fe9  1  0.785  0.215  0.920  1.0
  Si  Si10  1  0.326  0.674  0.250  1.0
  Si  Si11  1  0.674  0.326  0.750  1.0
  Si  Si12  1  0.626  0.374  0.039  1.0
  Si  Si13  1  0.374  0.626  0.961  1.0
  Si  Si14  1  0.374  0.626  0.539  1.0
  Si  Si15  1  0.626  0.374  0.461  1.0
[/CIF]
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