The structure described by HfMn crystallizes in the cubic Fd-3m space group. Hf(1) is bonded in a 14-coordinate geometry to eight equivalent Hf(1), two equivalent Mn(1), and four equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Hf(1) and six equivalent Mn(2) atoms to form a mixture of corner and face-sharing MnHf6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Hf(1), three equivalent Mn(1), and three equivalent Mn(2) atoms to form a mixture of distorted corner and face-sharing MnHf6Mn6 cuboctahedra. is represented by the CIF card [CIF]
data_HfMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.222
_cell_length_b   8.222
_cell_length_c   8.222
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   393.005
_cell_formula_units_Z   12
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
  Hf  Hf0  1  0.427  0.823  0.823  1.0
  Hf  Hf1  1  0.823  0.427  0.427  1.0
  Hf  Hf2  1  0.823  0.427  0.823  1.0
  Hf  Hf3  1  0.427  0.823  0.427  1.0
  Hf  Hf4  1  0.823  0.823  0.427  1.0
  Hf  Hf5  1  0.427  0.427  0.823  1.0
  Hf  Hf6  1  0.573  0.177  0.177  1.0
  Hf  Hf7  1  0.177  0.573  0.573  1.0
  Hf  Hf8  1  0.177  0.573  0.177  1.0
  Hf  Hf9  1  0.573  0.177  0.573  1.0
  Hf  Hf10  1  0.177  0.177  0.573  1.0
  Hf  Hf11  1  0.573  0.573  0.177  1.0
  Mn  Mn12  1  0.000  0.000  0.500  1.0
  Mn  Mn13  1  0.000  0.500  0.000  1.0
  Mn  Mn14  1  0.500  0.000  0.000  1.0
  Mn  Mn15  1  0.000  0.000  0.000  1.0
  Mn  Mn16  1  0.202  0.202  0.893  1.0
  Mn  Mn17  1  0.202  0.893  0.202  1.0
  Mn  Mn18  1  0.893  0.202  0.202  1.0
  Mn  Mn19  1  0.202  0.202  0.202  1.0
  Mn  Mn20  1  0.798  0.798  0.107  1.0
  Mn  Mn21  1  0.798  0.107  0.798  1.0
  Mn  Mn22  1  0.107  0.798  0.798  1.0
  Mn  Mn23  1  0.798  0.798  0.798  1.0
[/CIF]
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The structure described by HfMn crystallizes in the cubic Fd-3m space group. Hf(1) is bonded in a 14-coordinate geometry to eight equivalent Hf(1), two equivalent Mn(1), and four equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Hf(1) and six equivalent Mn(2) atoms to form a mixture of corner and face-sharing MnHf6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Hf(1), three equivalent Mn(1), and three equivalent Mn(2) atoms to form a mixture of distorted corner and face-sharing MnHf6Mn6 cuboctahedra. is represented by the CIF card [CIF]
data_HfMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.222
_cell_length_b   8.222
_cell_length_c   8.222
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   393.005
_cell_formula_units_Z   12
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
  Hf  Hf0  1  0.427  0.823  0.823  1.0
  Hf  Hf1  1  0.823  0.427  0.427  1.0
  Hf  Hf2  1  0.823  0.427  0.823  1.0
  Hf  Hf3  1  0.427  0.823  0.427  1.0
  Hf  Hf4  1  0.823  0.823  0.427  1.0
  Hf  Hf5  1  0.427  0.427  0.823  1.0
  Hf  Hf6  1  0.573  0.177  0.177  1.0
  Hf  Hf7  1  0.177  0.573  0.573  1.0
  Hf  Hf8  1  0.177  0.573  0.177  1.0
  Hf  Hf9  1  0.573  0.177  0.573  1.0
  Hf  Hf10  1  0.177  0.177  0.573  1.0
  Hf  Hf11  1  0.573  0.573  0.177  1.0
  Mn  Mn12  1  0.000  0.000  0.500  1.0
  Mn  Mn13  1  0.000  0.500  0.000  1.0
  Mn  Mn14  1  0.500  0.000  0.000  1.0
  Mn  Mn15  1  0.000  0.000  0.000  1.0
  Mn  Mn16  1  0.202  0.202  0.893  1.0
  Mn  Mn17  1  0.202  0.893  0.202  1.0
  Mn  Mn18  1  0.893  0.202  0.202  1.0
  Mn  Mn19  1  0.202  0.202  0.202  1.0
  Mn  Mn20  1  0.798  0.798  0.107  1.0
  Mn  Mn21  1  0.798  0.107  0.798  1.0
  Mn  Mn22  1  0.107  0.798  0.798  1.0
  Mn  Mn23  1  0.798  0.798  0.798  1.0
[/CIF]
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