The compound described by Tb3FeSi6 crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 13-coordinate geometry to two equivalent Fe(1), one Si(7), two equivalent Si(3), four equivalent Si(10), and four equivalent Si(4) atoms. In the second Tb site, Tb(2) is bonded in a 13-coordinate geometry to two equivalent Fe(2), one Si(8), two equivalent Si(1), four equivalent Si(11), and four equivalent Si(5) atoms. In the third Tb site, Tb(3) is bonded in a 11-coordinate geometry to one Si(9), two equivalent Si(2), four equivalent Si(12), and four equivalent Si(6) atoms. In the fourth Tb site, Tb(4) is bonded in a 13-coordinate geometry to two equivalent Fe(1), one Si(10), two equivalent Si(5), four equivalent Si(1), and four equivalent Si(7) atoms. In the fifth Tb site, Tb(5) is bonded in a 13-coordinate geometry to two equivalent Fe(2), one Si(11), two equivalent Si(6), four equivalent Si(2), and four equivalent Si(8) atoms. In the sixth Tb site, Tb(6) is bonded in a 11-coordinate geometry to one Si(12), two equivalent Si(4), four equivalent Si(3), and four equivalent Si(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(4), two equivalent Si(10), and two equivalent Si(7) atoms. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Tb(5), two equivalent Si(11), and two equivalent Si(8) atoms. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Tb(2), four equivalent Tb(4), one Si(7), and two equivalent Si(5) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Tb(3), four equivalent Tb(5), one Si(8), and two equivalent Si(6) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), four equivalent Tb(6), one Si(9), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Tb(6), four equivalent Tb(1), one Si(10), and two equivalent Si(3) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to two equivalent Tb(4), four equivalent Tb(2), one Si(11), and two equivalent Si(1) atoms. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to two equivalent Tb(5), four equivalent Tb(3), one Si(12), and two equivalent Si(2) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to one Tb(1), four equivalent Tb(4), two equivalent Fe(1), and one Si(1) atom. In the eighth Si site, Si(8) is bonded in a 8-coordinate geometry to one Tb(2), four equivalent Tb(5), two equivalent Fe(2), and one Si(2) atom. In the ninth Si site, Si(9) is bonded in a distorted hexagonal planar geometry to one Tb(3), four equivalent Tb(6), and one Si(3) atom. In the tenth Si site, Si(10) is bonded in a 8-coordinate geometry to one Tb(4), four equivalent Tb(1), two equivalent Fe(1), and one Si(4) atom. In the eleventh Si site, Si(11) is bonded in a 8-coordinate geometry to one Tb(5), four equivalent Tb(2), two equivalent Fe(2), and one Si(5) atom. In the twelfth Si site, Si(12) is bonded in a distorted hexagonal planar geometry to one Tb(6), four equivalent Tb(3), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3FeSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.000
_cell_length_b   4.023
_cell_length_c   23.810
_cell_angle_alpha   85.154
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.784
_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  0.250  0.964  0.073  1.0
  Tb  Tb1  1  0.250  0.298  0.405  1.0
  Tb  Tb2  1  0.250  0.630  0.740  1.0
  Tb  Tb3  1  0.750  0.370  0.260  1.0
  Tb  Tb4  1  0.750  0.702  0.595  1.0
  Tb  Tb5  1  0.750  0.039  0.922  1.0
  Fe  Fe6  1  0.250  0.417  0.165  1.0
  Fe  Fe7  1  0.250  0.750  0.500  1.0
  Si  Si8  1  0.250  0.846  0.307  1.0
  Si  Si9  1  0.250  0.180  0.641  1.0
  Si  Si10  1  0.250  0.515  0.970  1.0
  Si  Si11  1  0.750  0.487  0.026  1.0
  Si  Si12  1  0.750  0.819  0.362  1.0
  Si  Si13  1  0.750  0.151  0.698  1.0
  Si  Si14  1  0.250  0.897  0.206  1.0
  Si  Si15  1  0.250  0.230  0.539  1.0
  Si  Si16  1  0.250  0.564  0.871  1.0
  Si  Si17  1  0.750  0.436  0.128  1.0
  Si  Si18  1  0.750  0.769  0.462  1.0
  Si  Si19  1  0.750  0.102  0.796  1.0
[/CIF]
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The compound described by Tb3FeSi6 crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 13-coordinate geometry to two equivalent Fe(1), one Si(7), two equivalent Si(3), four equivalent Si(10), and four equivalent Si(4) atoms. In the second Tb site, Tb(2) is bonded in a 13-coordinate geometry to two equivalent Fe(2), one Si(8), two equivalent Si(1), four equivalent Si(11), and four equivalent Si(5) atoms. In the third Tb site, Tb(3) is bonded in a 11-coordinate geometry to one Si(9), two equivalent Si(2), four equivalent Si(12), and four equivalent Si(6) atoms. In the fourth Tb site, Tb(4) is bonded in a 13-coordinate geometry to two equivalent Fe(1), one Si(10), two equivalent Si(5), four equivalent Si(1), and four equivalent Si(7) atoms. In the fifth Tb site, Tb(5) is bonded in a 13-coordinate geometry to two equivalent Fe(2), one Si(11), two equivalent Si(6), four equivalent Si(2), and four equivalent Si(8) atoms. In the sixth Tb site, Tb(6) is bonded in a 11-coordinate geometry to one Si(12), two equivalent Si(4), four equivalent Si(3), and four equivalent Si(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(4), two equivalent Si(10), and two equivalent Si(7) atoms. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Tb(5), two equivalent Si(11), and two equivalent Si(8) atoms. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Tb(2), four equivalent Tb(4), one Si(7), and two equivalent Si(5) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Tb(3), four equivalent Tb(5), one Si(8), and two equivalent Si(6) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), four equivalent Tb(6), one Si(9), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Tb(6), four equivalent Tb(1), one Si(10), and two equivalent Si(3) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to two equivalent Tb(4), four equivalent Tb(2), one Si(11), and two equivalent Si(1) atoms. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to two equivalent Tb(5), four equivalent Tb(3), one Si(12), and two equivalent Si(2) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to one Tb(1), four equivalent Tb(4), two equivalent Fe(1), and one Si(1) atom. In the eighth Si site, Si(8) is bonded in a 8-coordinate geometry to one Tb(2), four equivalent Tb(5), two equivalent Fe(2), and one Si(2) atom. In the ninth Si site, Si(9) is bonded in a distorted hexagonal planar geometry to one Tb(3), four equivalent Tb(6), and one Si(3) atom. In the tenth Si site, Si(10) is bonded in a 8-coordinate geometry to one Tb(4), four equivalent Tb(1), two equivalent Fe(1), and one Si(4) atom. In the eleventh Si site, Si(11) is bonded in a 8-coordinate geometry to one Tb(5), four equivalent Tb(2), two equivalent Fe(2), and one Si(5) atom. In the twelfth Si site, Si(12) is bonded in a distorted hexagonal planar geometry to one Tb(6), four equivalent Tb(3), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3FeSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.000
_cell_length_b   4.023
_cell_length_c   23.810
_cell_angle_alpha   85.154
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.784
_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  0.250  0.964  0.073  1.0
  Tb  Tb1  1  0.250  0.298  0.405  1.0
  Tb  Tb2  1  0.250  0.630  0.740  1.0
  Tb  Tb3  1  0.750  0.370  0.260  1.0
  Tb  Tb4  1  0.750  0.702  0.595  1.0
  Tb  Tb5  1  0.750  0.039  0.922  1.0
  Fe  Fe6  1  0.250  0.417  0.165  1.0
  Fe  Fe7  1  0.250  0.750  0.500  1.0
  Si  Si8  1  0.250  0.846  0.307  1.0
  Si  Si9  1  0.250  0.180  0.641  1.0
  Si  Si10  1  0.250  0.515  0.970  1.0
  Si  Si11  1  0.750  0.487  0.026  1.0
  Si  Si12  1  0.750  0.819  0.362  1.0
  Si  Si13  1  0.750  0.151  0.698  1.0
  Si  Si14  1  0.250  0.897  0.206  1.0
  Si  Si15  1  0.250  0.230  0.539  1.0
  Si  Si16  1  0.250  0.564  0.871  1.0
  Si  Si17  1  0.750  0.436  0.128  1.0
  Si  Si18  1  0.750  0.769  0.462  1.0
  Si  Si19  1  0.750  0.102  0.796  1.0
[/CIF]
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