The structure described by Tb2(IrSi)3 crystallizes in the triclinic P1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to four equivalent Ir(2) and four equivalent Si(2) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Si(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Tb(2) and four equivalent Si(3) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to four equivalent Tb(1) and two equivalent Si(3) atoms. In the third Ir site, Ir(3) is bonded in a distorted body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Tb(2), four equivalent Ir(3), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Tb(1), four equivalent Ir(3), and one Si(1) atom. In the third Si site, Si(3) is bonded in a distorted square co-planar geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Tb2(SiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.942
_cell_length_b   3.457
_cell_length_c   22.067
_cell_angle_alpha   51.186
_cell_angle_beta   60.860
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   136.518
_cell_formula_units_Z   1
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  0.539  0.490  0.752  1.0
  Tb  Tb1  1  0.452  0.507  0.248  1.0
  Si  Si2  1  0.356  0.384  0.404  1.0
  Si  Si3  1  0.638  0.616  0.596  1.0
  Si  Si4  1  0.484  0.497  0.001  1.0
  Ir  Ir5  1  0.498  0.610  0.098  1.0
  Ir  Ir6  1  0.513  0.396  0.901  1.0
  Ir  Ir7  1  0.520  0.499  0.500  1.0
[/CIF]
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The structure described by Tb2(IrSi)3 crystallizes in the triclinic P1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to four equivalent Ir(2) and four equivalent Si(2) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Si(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Tb(2) and four equivalent Si(3) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to four equivalent Tb(1) and two equivalent Si(3) atoms. In the third Ir site, Ir(3) is bonded in a distorted body-centered cubic geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Tb(2), four equivalent Ir(3), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Tb(1), four equivalent Ir(3), and one Si(1) atom. In the third Si site, Si(3) is bonded in a distorted square co-planar geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Tb2(SiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.942
_cell_length_b   3.457
_cell_length_c   22.067
_cell_angle_alpha   51.186
_cell_angle_beta   60.860
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   136.518
_cell_formula_units_Z   1
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  0.539  0.490  0.752  1.0
  Tb  Tb1  1  0.452  0.507  0.248  1.0
  Si  Si2  1  0.356  0.384  0.404  1.0
  Si  Si3  1  0.638  0.616  0.596  1.0
  Si  Si4  1  0.484  0.497  0.001  1.0
  Ir  Ir5  1  0.498  0.610  0.098  1.0
  Ir  Ir6  1  0.513  0.396  0.901  1.0
  Ir  Ir7  1  0.520  0.499  0.500  1.0
[/CIF]
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