The compound described by Hf2Mn crystallizes in the cubic Fd-3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Hf(2) and six equivalent Mn(1) atoms. In the second Hf site, Hf(2) is bonded in a 14-coordinate geometry to two equivalent Hf(1), eight equivalent Hf(2), and four equivalent Mn(1) atoms. Mn(1) is bonded in a 12-coordinate geometry to three equivalent Hf(1), six equivalent Hf(2), and three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.602
_cell_length_b   8.603
_cell_length_c   8.602
_cell_angle_alpha   60.006
_cell_angle_beta   60.003
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   450.233
_cell_formula_units_Z   8
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  0.125  0.625  0.625  1.0
  Hf  Hf1  1  0.625  0.125  0.625  1.0
  Hf  Hf2  1  0.625  0.625  0.125  1.0
  Hf  Hf3  1  0.625  0.625  0.625  1.0
  Hf  Hf4  1  0.810  0.810  0.190  1.0
  Hf  Hf5  1  0.190  0.190  0.810  1.0
  Hf  Hf6  1  0.810  0.190  0.810  1.0
  Hf  Hf7  1  0.190  0.810  0.190  1.0
  Hf  Hf8  1  0.190  0.810  0.810  1.0
  Hf  Hf9  1  0.810  0.190  0.190  1.0
  Hf  Hf10  1  0.440  0.440  0.060  1.0
  Hf  Hf11  1  0.060  0.060  0.440  1.0
  Hf  Hf12  1  0.440  0.060  0.440  1.0
  Hf  Hf13  1  0.060  0.440  0.060  1.0
  Hf  Hf14  1  0.060  0.440  0.440  1.0
  Hf  Hf15  1  0.440  0.060  0.060  1.0
  Mn  Mn16  1  0.762  0.413  0.413  1.0
  Mn  Mn17  1  0.413  0.762  0.413  1.0
  Mn  Mn18  1  0.413  0.413  0.762  1.0
  Mn  Mn19  1  0.413  0.413  0.413  1.0
  Mn  Mn20  1  0.488  0.837  0.837  1.0
  Mn  Mn21  1  0.837  0.488  0.837  1.0
  Mn  Mn22  1  0.837  0.837  0.488  1.0
  Mn  Mn23  1  0.837  0.837  0.837  1.0
[/CIF]
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The compound described by Hf2Mn crystallizes in the cubic Fd-3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Hf(2) and six equivalent Mn(1) atoms. In the second Hf site, Hf(2) is bonded in a 14-coordinate geometry to two equivalent Hf(1), eight equivalent Hf(2), and four equivalent Mn(1) atoms. Mn(1) is bonded in a 12-coordinate geometry to three equivalent Hf(1), six equivalent Hf(2), and three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.602
_cell_length_b   8.603
_cell_length_c   8.602
_cell_angle_alpha   60.006
_cell_angle_beta   60.003
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   450.233
_cell_formula_units_Z   8
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  0.125  0.625  0.625  1.0
  Hf  Hf1  1  0.625  0.125  0.625  1.0
  Hf  Hf2  1  0.625  0.625  0.125  1.0
  Hf  Hf3  1  0.625  0.625  0.625  1.0
  Hf  Hf4  1  0.810  0.810  0.190  1.0
  Hf  Hf5  1  0.190  0.190  0.810  1.0
  Hf  Hf6  1  0.810  0.190  0.810  1.0
  Hf  Hf7  1  0.190  0.810  0.190  1.0
  Hf  Hf8  1  0.190  0.810  0.810  1.0
  Hf  Hf9  1  0.810  0.190  0.190  1.0
  Hf  Hf10  1  0.440  0.440  0.060  1.0
  Hf  Hf11  1  0.060  0.060  0.440  1.0
  Hf  Hf12  1  0.440  0.060  0.440  1.0
  Hf  Hf13  1  0.060  0.440  0.060  1.0
  Hf  Hf14  1  0.060  0.440  0.440  1.0
  Hf  Hf15  1  0.440  0.060  0.060  1.0
  Mn  Mn16  1  0.762  0.413  0.413  1.0
  Mn  Mn17  1  0.413  0.762  0.413  1.0
  Mn  Mn18  1  0.413  0.413  0.762  1.0
  Mn  Mn19  1  0.413  0.413  0.413  1.0
  Mn  Mn20  1  0.488  0.837  0.837  1.0
  Mn  Mn21  1  0.837  0.488  0.837  1.0
  Mn  Mn22  1  0.837  0.837  0.488  1.0
  Mn  Mn23  1  0.837  0.837  0.837  1.0
[/CIF]
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