The crystal structure described by Ho6Fe16O crystallizes in the cubic Im-3m space group. Ho(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 Ho(1), two equivalent Fe(1), and six equivalent Fe(2) atoms to form distorted FeHo4Fe8 cuboctahedra that share corners with six equivalent Fe(1)Ho6Fe6 cuboctahedra, corners with eight equivalent Fe(2)Ho4Fe8 cuboctahedra, corners with two equivalent O(1)Ho6 octahedra, edges with eight equivalent Fe(2)Ho4Fe8 cuboctahedra,  an edgeedge with one O(1)Ho6 octahedra, faces with six equivalent Fe(1)Ho6Fe6 cuboctahedra, and faces with eleven equivalent Fe(2)Ho4Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the second Fe site, Fe(1) is bonded to six equivalent Ho(1) and six equivalent Fe(2) atoms to form FeHo6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Ho6Fe6 cuboctahedra, corners with eighteen equivalent Fe(2)Ho4Fe8 cuboctahedra, faces with six equivalent Fe(1)Ho6Fe6 cuboctahedra, faces with eighteen equivalent Fe(2)Ho4Fe8 cuboctahedra, and faces with two equivalent O(1)Ho6 octahedra. O(1) is bonded to six equivalent Ho(1) atoms to form OHo6 octahedra that share corners with twenty-four equivalent Fe(2)Ho4Fe8 cuboctahedra, edges with twelve equivalent Fe(2)Ho4Fe8 cuboctahedra, and faces with eight equivalent Fe(1)Ho6Fe6 cuboctahedra. is represented by the CIF file [CIF]
data_Ho6Fe16O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.142
_cell_length_b   8.142
_cell_length_c   8.142
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   415.549
_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
  Ho  Ho0  1  0.737  0.737  0.000  1.0
  Ho  Ho1  1  0.263  0.000  0.263  1.0
  Ho  Ho2  1  0.737  0.000  0.737  1.0
  Ho  Ho3  1  0.000  0.737  0.737  1.0
  Ho  Ho4  1  0.000  0.263  0.263  1.0
  Ho  Ho5  1  0.263  0.263  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.500  1.0
  Fe  Fe10  1  0.338  0.338  0.675  1.0
  Fe  Fe11  1  0.662  0.662  0.325  1.0
  Fe  Fe12  1  0.000  0.338  0.662  1.0
  Fe  Fe13  1  0.325  0.662  0.662  1.0
  Fe  Fe14  1  0.662  0.325  0.662  1.0
  Fe  Fe15  1  0.338  0.000  0.662  1.0
  Fe  Fe16  1  0.662  0.338  0.000  1.0
  Fe  Fe17  1  0.338  0.662  0.000  1.0
  Fe  Fe18  1  0.338  0.675  0.338  1.0
  Fe  Fe19  1  0.000  0.662  0.338  1.0
  Fe  Fe20  1  0.662  0.000  0.338  1.0
  Fe  Fe21  1  0.675  0.338  0.338  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ho6Fe16O crystallizes in the cubic Im-3m space group. Ho(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 Ho(1), two equivalent Fe(1), and six equivalent Fe(2) atoms to form distorted FeHo4Fe8 cuboctahedra that share corners with six equivalent Fe(1)Ho6Fe6 cuboctahedra, corners with eight equivalent Fe(2)Ho4Fe8 cuboctahedra, corners with two equivalent O(1)Ho6 octahedra, edges with eight equivalent Fe(2)Ho4Fe8 cuboctahedra,  an edgeedge with one O(1)Ho6 octahedra, faces with six equivalent Fe(1)Ho6Fe6 cuboctahedra, and faces with eleven equivalent Fe(2)Ho4Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the second Fe site, Fe(1) is bonded to six equivalent Ho(1) and six equivalent Fe(2) atoms to form FeHo6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Ho6Fe6 cuboctahedra, corners with eighteen equivalent Fe(2)Ho4Fe8 cuboctahedra, faces with six equivalent Fe(1)Ho6Fe6 cuboctahedra, faces with eighteen equivalent Fe(2)Ho4Fe8 cuboctahedra, and faces with two equivalent O(1)Ho6 octahedra. O(1) is bonded to six equivalent Ho(1) atoms to form OHo6 octahedra that share corners with twenty-four equivalent Fe(2)Ho4Fe8 cuboctahedra, edges with twelve equivalent Fe(2)Ho4Fe8 cuboctahedra, and faces with eight equivalent Fe(1)Ho6Fe6 cuboctahedra. is represented by the CIF file [CIF]
data_Ho6Fe16O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.142
_cell_length_b   8.142
_cell_length_c   8.142
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   415.549
_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
  Ho  Ho0  1  0.737  0.737  0.000  1.0
  Ho  Ho1  1  0.263  0.000  0.263  1.0
  Ho  Ho2  1  0.737  0.000  0.737  1.0
  Ho  Ho3  1  0.000  0.737  0.737  1.0
  Ho  Ho4  1  0.000  0.263  0.263  1.0
  Ho  Ho5  1  0.263  0.263  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.500  1.0
  Fe  Fe10  1  0.338  0.338  0.675  1.0
  Fe  Fe11  1  0.662  0.662  0.325  1.0
  Fe  Fe12  1  0.000  0.338  0.662  1.0
  Fe  Fe13  1  0.325  0.662  0.662  1.0
  Fe  Fe14  1  0.662  0.325  0.662  1.0
  Fe  Fe15  1  0.338  0.000  0.662  1.0
  Fe  Fe16  1  0.662  0.338  0.000  1.0
  Fe  Fe17  1  0.338  0.662  0.000  1.0
  Fe  Fe18  1  0.338  0.675  0.338  1.0
  Fe  Fe19  1  0.000  0.662  0.338  1.0
  Fe  Fe20  1  0.662  0.000  0.338  1.0
  Fe  Fe21  1  0.675  0.338  0.338  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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