The structure described by HoMn12 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a 20-coordinate geometry to four equivalent Mn(3), eight equivalent Mn(1), and eight equivalent Mn(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Ho(1), two equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form a mixture of distorted corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Ho(1), two equivalent Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms to form a mixture of corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. In the third Mn site, Mn(3) is bonded in a 14-coordinate geometry to one Ho(1), four equivalent Mn(1), four equivalent Mn(2), and five equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_HoMn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.810
_cell_length_b   6.811
_cell_length_c   6.811
_cell_angle_alpha   98.176
_cell_angle_beta   98.176
_cell_angle_gamma   135.700
_symmetry_Int_Tables_number   1
_cell_volume   204.340
_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  0.000  1.000  1.000  1.0
  Mn  Mn1  1  0.500  0.276  0.776  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  1.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.000  0.646  0.647  1.0
  Mn  Mn7  1  0.354  1.000  0.353  1.0
  Mn  Mn8  1  0.646  0.000  0.647  1.0
  Mn  Mn9  1  1.000  0.354  0.353  1.0
  Mn  Mn10  1  0.500  0.724  0.224  1.0
  Mn  Mn11  1  0.276  0.500  0.776  1.0
  Mn  Mn12  1  0.724  0.500  0.224  1.0
[/CIF]
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The structure described by HoMn12 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a 20-coordinate geometry to four equivalent Mn(3), eight equivalent Mn(1), and eight equivalent Mn(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Ho(1), two equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form a mixture of distorted corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Ho(1), two equivalent Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms to form a mixture of corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. In the third Mn site, Mn(3) is bonded in a 14-coordinate geometry to one Ho(1), four equivalent Mn(1), four equivalent Mn(2), and five equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_HoMn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.810
_cell_length_b   6.811
_cell_length_c   6.811
_cell_angle_alpha   98.176
_cell_angle_beta   98.176
_cell_angle_gamma   135.700
_symmetry_Int_Tables_number   1
_cell_volume   204.340
_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  0.000  1.000  1.000  1.0
  Mn  Mn1  1  0.500  0.276  0.776  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  1.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.000  0.646  0.647  1.0
  Mn  Mn7  1  0.354  1.000  0.353  1.0
  Mn  Mn8  1  0.646  0.000  0.647  1.0
  Mn  Mn9  1  1.000  0.354  0.353  1.0
  Mn  Mn10  1  0.500  0.724  0.224  1.0
  Mn  Mn11  1  0.276  0.500  0.776  1.0
  Mn  Mn12  1  0.724  0.500  0.224  1.0
[/CIF]
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