The structure described by Y7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Fe(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted YFeI5 octahedra that share corners with three equivalent Y(1)FeI5 octahedra,  an edgeedge with one Y(2)I6 octahedra, and edges with five equivalent Y(1)FeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Y site, Y(2) is bonded to six equivalent I(2) atoms to form edge-sharing YI6 octahedra. Fe(1) is bonded in an octahedral geometry to six equivalent Y(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to three equivalent Y(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Y(2) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_Y7FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.686
_cell_length_b   9.686
_cell_length_c   9.682
_cell_angle_alpha   107.060
_cell_angle_beta   107.055
_cell_angle_gamma   107.046
_symmetry_Int_Tables_number   1
_cell_volume   755.408
_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
  Y  Y0  1  0.709  0.979  0.909  1.0
  Y  Y1  1  0.979  0.909  0.709  1.0
  Y  Y2  1  0.500  0.500  0.500  1.0
  Y  Y3  1  0.091  0.291  0.021  1.0
  Y  Y4  1  0.291  0.021  0.091  1.0
  Y  Y5  1  0.909  0.709  0.979  1.0
  Y  Y6  1  0.021  0.091  0.291  1.0
  Fe  Fe7  1  1.000  1.000  1.000  1.0
  I  I8  1  0.074  0.229  0.678  1.0
  I  I9  1  0.387  0.159  0.465  1.0
  I  I10  1  0.613  0.841  0.535  1.0
  I  I11  1  0.229  0.678  0.074  1.0
  I  I12  1  0.771  0.322  0.926  1.0
  I  I13  1  0.678  0.074  0.229  1.0
  I  I14  1  0.535  0.613  0.841  1.0
  I  I15  1  0.841  0.535  0.613  1.0
  I  I16  1  0.926  0.771  0.322  1.0
  I  I17  1  0.322  0.926  0.771  1.0
  I  I18  1  0.465  0.387  0.159  1.0
  I  I19  1  0.159  0.465  0.387  1.0
[/CIF]
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The structure described by Y7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Fe(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted YFeI5 octahedra that share corners with three equivalent Y(1)FeI5 octahedra,  an edgeedge with one Y(2)I6 octahedra, and edges with five equivalent Y(1)FeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Y site, Y(2) is bonded to six equivalent I(2) atoms to form edge-sharing YI6 octahedra. Fe(1) is bonded in an octahedral geometry to six equivalent Y(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to three equivalent Y(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Y(2) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_Y7FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.686
_cell_length_b   9.686
_cell_length_c   9.682
_cell_angle_alpha   107.060
_cell_angle_beta   107.055
_cell_angle_gamma   107.046
_symmetry_Int_Tables_number   1
_cell_volume   755.408
_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
  Y  Y0  1  0.709  0.979  0.909  1.0
  Y  Y1  1  0.979  0.909  0.709  1.0
  Y  Y2  1  0.500  0.500  0.500  1.0
  Y  Y3  1  0.091  0.291  0.021  1.0
  Y  Y4  1  0.291  0.021  0.091  1.0
  Y  Y5  1  0.909  0.709  0.979  1.0
  Y  Y6  1  0.021  0.091  0.291  1.0
  Fe  Fe7  1  1.000  1.000  1.000  1.0
  I  I8  1  0.074  0.229  0.678  1.0
  I  I9  1  0.387  0.159  0.465  1.0
  I  I10  1  0.613  0.841  0.535  1.0
  I  I11  1  0.229  0.678  0.074  1.0
  I  I12  1  0.771  0.322  0.926  1.0
  I  I13  1  0.678  0.074  0.229  1.0
  I  I14  1  0.535  0.613  0.841  1.0
  I  I15  1  0.841  0.535  0.613  1.0
  I  I16  1  0.926  0.771  0.322  1.0
  I  I17  1  0.322  0.926  0.771  1.0
  I  I18  1  0.465  0.387  0.159  1.0
  I  I19  1  0.159  0.465  0.387  1.0
[/CIF]
.