The material structure described by Tb6IrI10 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Ir(1), one I(1), one I(2), one I(4), and two equivalent I(3) atoms to form a mixture of corner and edge-sharing TbIrI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Tb site, Tb(2) is bonded to one Ir(1), one I(1), one I(2), one I(3), and two equivalent I(5) atoms to form a mixture of distorted corner and edge-sharing TbIrI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third Tb site, Tb(3) is bonded to one Ir(1), one I(2), one I(3), one I(5), and two equivalent I(4) atoms to form a mixture of corner and edge-sharing TbIrI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Ir(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Tb(1) and one Tb(2) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(2), and one Tb(3) atom. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one Tb(2), one Tb(3), and two equivalent Tb(1) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Tb(1) and two equivalent Tb(3) atoms. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Tb(3) and two equivalent Tb(2) atoms. is represented by the CIF file [CIF]
data_Tb6IrI10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.722
_cell_length_b   9.750
_cell_length_c   9.638
_cell_angle_alpha   107.477
_cell_angle_beta   104.853
_cell_angle_gamma   97.142
_symmetry_Int_Tables_number   1
_cell_volume   652.924
_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  0.647  0.831  0.873  1.0
  Tb  Tb1  1  0.353  0.169  0.127  1.0
  Tb  Tb2  1  0.030  0.917  0.721  1.0
  Tb  Tb3  1  0.970  0.083  0.279  1.0
  Tb  Tb4  1  0.115  0.756  0.042  1.0
  Tb  Tb5  1  0.885  0.244  0.958  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  I  I7  1  0.645  0.726  0.544  1.0
  I  I8  1  0.355  0.274  0.456  1.0
  I  I9  1  0.212  0.649  0.737  1.0
  I  I10  1  0.788  0.351  0.263  1.0
  I  I11  1  0.452  0.091  0.813  1.0
  I  I12  1  0.548  0.909  0.187  1.0
  I  I13  1  0.264  0.465  0.090  1.0
  I  I14  1  0.736  0.535  0.910  1.0
  I  I15  1  0.085  0.819  0.371  1.0
  I  I16  1  0.915  0.181  0.629  1.0
[/CIF]
.
The material structure described by Tb6IrI10 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Ir(1), one I(1), one I(2), one I(4), and two equivalent I(3) atoms to form a mixture of corner and edge-sharing TbIrI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Tb site, Tb(2) is bonded to one Ir(1), one I(1), one I(2), one I(3), and two equivalent I(5) atoms to form a mixture of distorted corner and edge-sharing TbIrI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third Tb site, Tb(3) is bonded to one Ir(1), one I(2), one I(3), one I(5), and two equivalent I(4) atoms to form a mixture of corner and edge-sharing TbIrI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Ir(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Tb(1) and one Tb(2) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(2), and one Tb(3) atom. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one Tb(2), one Tb(3), and two equivalent Tb(1) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Tb(1) and two equivalent Tb(3) atoms. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Tb(3) and two equivalent Tb(2) atoms. is represented by the CIF file [CIF]
data_Tb6IrI10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.722
_cell_length_b   9.750
_cell_length_c   9.638
_cell_angle_alpha   107.477
_cell_angle_beta   104.853
_cell_angle_gamma   97.142
_symmetry_Int_Tables_number   1
_cell_volume   652.924
_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  0.647  0.831  0.873  1.0
  Tb  Tb1  1  0.353  0.169  0.127  1.0
  Tb  Tb2  1  0.030  0.917  0.721  1.0
  Tb  Tb3  1  0.970  0.083  0.279  1.0
  Tb  Tb4  1  0.115  0.756  0.042  1.0
  Tb  Tb5  1  0.885  0.244  0.958  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  I  I7  1  0.645  0.726  0.544  1.0
  I  I8  1  0.355  0.274  0.456  1.0
  I  I9  1  0.212  0.649  0.737  1.0
  I  I10  1  0.788  0.351  0.263  1.0
  I  I11  1  0.452  0.091  0.813  1.0
  I  I12  1  0.548  0.909  0.187  1.0
  I  I13  1  0.264  0.465  0.090  1.0
  I  I14  1  0.736  0.535  0.910  1.0
  I  I15  1  0.085  0.819  0.371  1.0
  I  I16  1  0.915  0.181  0.629  1.0
[/CIF]
.