The material structure described by Tb7MnI12 is trigonal omega-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Mn(1), one I(2), one I(4), one I(5), and two equivalent I(1) atoms to form distorted TbMnI5 octahedra that share  a cornercorner with one Tb(1)MnI5 octahedra,  a cornercorner with one Tb(2)MnI5 octahedra,  a cornercorner with one Tb(3)MnI5 octahedra,  an edgeedge with one Tb(4)I6 octahedra,  an edgeedge with one Tb(1)MnI5 octahedra, edges with two equivalent Tb(2)MnI5 octahedra, and edges with two equivalent Tb(3)MnI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Tb site, Tb(2) is bonded to one Mn(1), one I(3), one I(5), one I(6), and two equivalent I(2) atoms to form distorted TbMnI5 octahedra that share  a cornercorner with one Tb(1)MnI5 octahedra,  a cornercorner with one Tb(2)MnI5 octahedra,  a cornercorner with one Tb(3)MnI5 octahedra,  an edgeedge with one Tb(4)I6 octahedra,  an edgeedge with one Tb(2)MnI5 octahedra, edges with two equivalent Tb(1)MnI5 octahedra, and edges with two equivalent Tb(3)MnI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third Tb site, Tb(3) is bonded to one Mn(1), one I(1), one I(4), one I(6), and two equivalent I(3) atoms to form distorted TbMnI5 octahedra that share  a cornercorner with one Tb(1)MnI5 octahedra,  a cornercorner with one Tb(2)MnI5 octahedra,  a cornercorner with one Tb(3)MnI5 octahedra,  an edgeedge with one Tb(4)I6 octahedra,  an edgeedge with one Tb(3)MnI5 octahedra, edges with two equivalent Tb(1)MnI5 octahedra, and edges with two equivalent Tb(2)MnI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth Tb site, Tb(4) is bonded to two equivalent I(4), two equivalent I(5), and two equivalent I(6) atoms to form edge-sharing TbI6 octahedra. Mn(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are six inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one Tb(3) and two equivalent Tb(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Tb(1) and two equivalent Tb(2) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Tb(2) and two equivalent Tb(3) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(3), and one Tb(4) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(2), and one Tb(4) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Tb(2), one Tb(3), and one Tb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb7MnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.712
_cell_length_b   9.729
_cell_length_c   9.686
_cell_angle_alpha   106.846
_cell_angle_beta   106.990
_cell_angle_gamma   107.271
_symmetry_Int_Tables_number   1
_cell_volume   761.396
_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  0.908  0.707  0.976  1.0
  Tb  Tb1  1  0.977  0.906  0.711  1.0
  Tb  Tb2  1  0.708  0.979  0.908  1.0
  Tb  Tb3  1  0.092  0.293  0.024  1.0
  Tb  Tb4  1  0.023  0.094  0.289  1.0
  Tb  Tb5  1  0.292  0.021  0.092  1.0
  Tb  Tb6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  1.000  0.000  1.000  1.0
  I  I8  1  0.771  0.319  0.924  1.0
  I  I9  1  0.925  0.774  0.318  1.0
  I  I10  1  0.317  0.924  0.771  1.0
  I  I11  1  0.229  0.681  0.076  1.0
  I  I12  1  0.075  0.226  0.682  1.0
  I  I13  1  0.683  0.076  0.229  1.0
  I  I14  1  0.537  0.615  0.842  1.0
  I  I15  1  0.841  0.535  0.612  1.0
  I  I16  1  0.615  0.841  0.536  1.0
  I  I17  1  0.463  0.385  0.158  1.0
  I  I18  1  0.159  0.465  0.388  1.0
  I  I19  1  0.385  0.159  0.464  1.0
[/CIF]
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The material structure described by Tb7MnI12 is trigonal omega-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Mn(1), one I(2), one I(4), one I(5), and two equivalent I(1) atoms to form distorted TbMnI5 octahedra that share  a cornercorner with one Tb(1)MnI5 octahedra,  a cornercorner with one Tb(2)MnI5 octahedra,  a cornercorner with one Tb(3)MnI5 octahedra,  an edgeedge with one Tb(4)I6 octahedra,  an edgeedge with one Tb(1)MnI5 octahedra, edges with two equivalent Tb(2)MnI5 octahedra, and edges with two equivalent Tb(3)MnI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Tb site, Tb(2) is bonded to one Mn(1), one I(3), one I(5), one I(6), and two equivalent I(2) atoms to form distorted TbMnI5 octahedra that share  a cornercorner with one Tb(1)MnI5 octahedra,  a cornercorner with one Tb(2)MnI5 octahedra,  a cornercorner with one Tb(3)MnI5 octahedra,  an edgeedge with one Tb(4)I6 octahedra,  an edgeedge with one Tb(2)MnI5 octahedra, edges with two equivalent Tb(1)MnI5 octahedra, and edges with two equivalent Tb(3)MnI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third Tb site, Tb(3) is bonded to one Mn(1), one I(1), one I(4), one I(6), and two equivalent I(3) atoms to form distorted TbMnI5 octahedra that share  a cornercorner with one Tb(1)MnI5 octahedra,  a cornercorner with one Tb(2)MnI5 octahedra,  a cornercorner with one Tb(3)MnI5 octahedra,  an edgeedge with one Tb(4)I6 octahedra,  an edgeedge with one Tb(3)MnI5 octahedra, edges with two equivalent Tb(1)MnI5 octahedra, and edges with two equivalent Tb(2)MnI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth Tb site, Tb(4) is bonded to two equivalent I(4), two equivalent I(5), and two equivalent I(6) atoms to form edge-sharing TbI6 octahedra. Mn(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are six inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one Tb(3) and two equivalent Tb(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Tb(1) and two equivalent Tb(2) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Tb(2) and two equivalent Tb(3) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(3), and one Tb(4) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(2), and one Tb(4) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Tb(2), one Tb(3), and one Tb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb7MnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.712
_cell_length_b   9.729
_cell_length_c   9.686
_cell_angle_alpha   106.846
_cell_angle_beta   106.990
_cell_angle_gamma   107.271
_symmetry_Int_Tables_number   1
_cell_volume   761.396
_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  0.908  0.707  0.976  1.0
  Tb  Tb1  1  0.977  0.906  0.711  1.0
  Tb  Tb2  1  0.708  0.979  0.908  1.0
  Tb  Tb3  1  0.092  0.293  0.024  1.0
  Tb  Tb4  1  0.023  0.094  0.289  1.0
  Tb  Tb5  1  0.292  0.021  0.092  1.0
  Tb  Tb6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  1.000  0.000  1.000  1.0
  I  I8  1  0.771  0.319  0.924  1.0
  I  I9  1  0.925  0.774  0.318  1.0
  I  I10  1  0.317  0.924  0.771  1.0
  I  I11  1  0.229  0.681  0.076  1.0
  I  I12  1  0.075  0.226  0.682  1.0
  I  I13  1  0.683  0.076  0.229  1.0
  I  I14  1  0.537  0.615  0.842  1.0
  I  I15  1  0.841  0.535  0.612  1.0
  I  I16  1  0.615  0.841  0.536  1.0
  I  I17  1  0.463  0.385  0.158  1.0
  I  I18  1  0.159  0.465  0.388  1.0
  I  I19  1  0.385  0.159  0.464  1.0
[/CIF]
.