The material structure described by Y6Fe16O crystallizes in the cubic Im-3m space group. Y(1) is bonded in a single-bond geometry to four equivalent Fe(1), eight equivalent Fe(2), and one O(1) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to four equivalent Y(1), two equivalent Fe(1), and six equivalent Fe(2) atoms to form distorted FeY4Fe8 cuboctahedra that share corners with six equivalent Fe(1)Y6Fe6 cuboctahedra, corners with eight equivalent Fe(2)Y4Fe8 cuboctahedra, corners with two equivalent O(1)Y6 octahedra, edges with eight equivalent Fe(2)Y4Fe8 cuboctahedra,  an edgeedge with one O(1)Y6 octahedra, faces with six equivalent Fe(1)Y6Fe6 cuboctahedra, and faces with eleven equivalent Fe(2)Y4Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the second Fe site, Fe(1) is bonded to six equivalent Y(1) and six equivalent Fe(2) atoms to form FeY6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Y6Fe6 cuboctahedra, corners with eighteen equivalent Fe(2)Y4Fe8 cuboctahedra, faces with six equivalent Fe(1)Y6Fe6 cuboctahedra, faces with eighteen equivalent Fe(2)Y4Fe8 cuboctahedra, and faces with two equivalent O(1)Y6 octahedra. O(1) is bonded to six equivalent Y(1) atoms to form OY6 octahedra that share corners with twenty-four equivalent Fe(2)Y4Fe8 cuboctahedra, edges with twelve equivalent Fe(2)Y4Fe8 cuboctahedra, and faces with eight equivalent Fe(1)Y6Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Fe16O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.194
_cell_length_b   8.194
_cell_length_c   8.194
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   423.451
_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  0.263  0.263  0.000  1.0
  Y  Y1  1  0.000  0.263  0.263  1.0
  Y  Y2  1  0.000  0.737  0.737  1.0
  Y  Y3  1  0.737  0.000  0.737  1.0
  Y  Y4  1  0.263  0.000  0.263  1.0
  Y  Y5  1  0.737  0.737  0.000  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  Fe  Fe8  1  0.500  0.000  0.000  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.662  0.662  0.325  1.0
  Fe  Fe11  1  0.000  0.338  0.662  1.0
  Fe  Fe12  1  0.325  0.662  0.662  1.0
  Fe  Fe13  1  0.662  0.325  0.662  1.0
  Fe  Fe14  1  0.338  0.000  0.662  1.0
  Fe  Fe15  1  0.662  0.338  0.000  1.0
  Fe  Fe16  1  0.338  0.662  0.000  1.0
  Fe  Fe17  1  0.338  0.675  0.338  1.0
  Fe  Fe18  1  0.000  0.662  0.338  1.0
  Fe  Fe19  1  0.662  0.000  0.338  1.0
  Fe  Fe20  1  0.675  0.338  0.338  1.0
  Fe  Fe21  1  0.338  0.338  0.675  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Y6Fe16O crystallizes in the cubic Im-3m space group. Y(1) is bonded in a single-bond geometry to four equivalent Fe(1), eight equivalent Fe(2), and one O(1) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to four equivalent Y(1), two equivalent Fe(1), and six equivalent Fe(2) atoms to form distorted FeY4Fe8 cuboctahedra that share corners with six equivalent Fe(1)Y6Fe6 cuboctahedra, corners with eight equivalent Fe(2)Y4Fe8 cuboctahedra, corners with two equivalent O(1)Y6 octahedra, edges with eight equivalent Fe(2)Y4Fe8 cuboctahedra,  an edgeedge with one O(1)Y6 octahedra, faces with six equivalent Fe(1)Y6Fe6 cuboctahedra, and faces with eleven equivalent Fe(2)Y4Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the second Fe site, Fe(1) is bonded to six equivalent Y(1) and six equivalent Fe(2) atoms to form FeY6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Y6Fe6 cuboctahedra, corners with eighteen equivalent Fe(2)Y4Fe8 cuboctahedra, faces with six equivalent Fe(1)Y6Fe6 cuboctahedra, faces with eighteen equivalent Fe(2)Y4Fe8 cuboctahedra, and faces with two equivalent O(1)Y6 octahedra. O(1) is bonded to six equivalent Y(1) atoms to form OY6 octahedra that share corners with twenty-four equivalent Fe(2)Y4Fe8 cuboctahedra, edges with twelve equivalent Fe(2)Y4Fe8 cuboctahedra, and faces with eight equivalent Fe(1)Y6Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Fe16O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.194
_cell_length_b   8.194
_cell_length_c   8.194
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   423.451
_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  0.263  0.263  0.000  1.0
  Y  Y1  1  0.000  0.263  0.263  1.0
  Y  Y2  1  0.000  0.737  0.737  1.0
  Y  Y3  1  0.737  0.000  0.737  1.0
  Y  Y4  1  0.263  0.000  0.263  1.0
  Y  Y5  1  0.737  0.737  0.000  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  Fe  Fe8  1  0.500  0.000  0.000  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.662  0.662  0.325  1.0
  Fe  Fe11  1  0.000  0.338  0.662  1.0
  Fe  Fe12  1  0.325  0.662  0.662  1.0
  Fe  Fe13  1  0.662  0.325  0.662  1.0
  Fe  Fe14  1  0.338  0.000  0.662  1.0
  Fe  Fe15  1  0.662  0.338  0.000  1.0
  Fe  Fe16  1  0.338  0.662  0.000  1.0
  Fe  Fe17  1  0.338  0.675  0.338  1.0
  Fe  Fe18  1  0.000  0.662  0.338  1.0
  Fe  Fe19  1  0.662  0.000  0.338  1.0
  Fe  Fe20  1  0.675  0.338  0.338  1.0
  Fe  Fe21  1  0.338  0.338  0.675  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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