The compound described by HfMo2 is Cubic Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to three equivalent Mo(1), three equivalent Mo(3), and six equivalent Mo(2) atoms. In the second Hf site, Hf(2) is bonded in a 12-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), and six equivalent Mo(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Hf(1), three equivalent Hf(2), three equivalent Mo(2), and three equivalent Mo(3) atoms to form a mixture of corner, edge, and face-sharing MoHf6Mo6 cuboctahedra. In the second Mo site, Mo(2) is bonded to two equivalent Hf(2), four equivalent Hf(1), two equivalent Mo(1), and four equivalent Mo(2) atoms to form a mixture of corner, edge, and face-sharing MoHf6Mo6 cuboctahedra. In the third Mo site, Mo(3) is bonded to two equivalent Hf(1), four equivalent Hf(2), two equivalent Mo(1), and four equivalent Mo(3) atoms to form a mixture of corner, edge, and face-sharing MoHf6Mo6 cuboctahedra. is represented by the CIF file [CIF]
data_HfMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.348
_cell_length_c   17.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   430.307
_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  0.000  0.000  0.405  1.0
  Hf  Hf1  1  0.000  0.000  0.595  1.0
  Hf  Hf2  1  0.000  0.000  0.905  1.0
  Hf  Hf3  1  0.000  0.000  0.095  1.0
  Hf  Hf4  1  0.333  0.667  0.656  1.0
  Hf  Hf5  1  0.667  0.333  0.344  1.0
  Hf  Hf6  1  0.667  0.333  0.156  1.0
  Hf  Hf7  1  0.333  0.667  0.844  1.0
  Mo  Mo8  1  0.333  0.667  0.377  1.0
  Mo  Mo9  1  0.667  0.333  0.623  1.0
  Mo  Mo10  1  0.667  0.333  0.877  1.0
  Mo  Mo11  1  0.333  0.667  0.123  1.0
  Mo  Mo12  1  0.500  0.500  0.500  1.0
  Mo  Mo13  1  0.500  0.000  0.500  1.0
  Mo  Mo14  1  0.000  0.500  0.500  1.0
  Mo  Mo15  1  0.500  0.500  0.000  1.0
  Mo  Mo16  1  0.500  0.000  0.000  1.0
  Mo  Mo17  1  0.000  0.500  0.000  1.0
  Mo  Mo18  1  0.163  0.837  0.250  1.0
  Mo  Mo19  1  0.163  0.327  0.250  1.0
  Mo  Mo20  1  0.673  0.837  0.250  1.0
  Mo  Mo21  1  0.837  0.163  0.750  1.0
  Mo  Mo22  1  0.837  0.673  0.750  1.0
  Mo  Mo23  1  0.327  0.163  0.750  1.0
[/CIF]
.
The compound described by HfMo2 is Cubic Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to three equivalent Mo(1), three equivalent Mo(3), and six equivalent Mo(2) atoms. In the second Hf site, Hf(2) is bonded in a 12-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), and six equivalent Mo(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Hf(1), three equivalent Hf(2), three equivalent Mo(2), and three equivalent Mo(3) atoms to form a mixture of corner, edge, and face-sharing MoHf6Mo6 cuboctahedra. In the second Mo site, Mo(2) is bonded to two equivalent Hf(2), four equivalent Hf(1), two equivalent Mo(1), and four equivalent Mo(2) atoms to form a mixture of corner, edge, and face-sharing MoHf6Mo6 cuboctahedra. In the third Mo site, Mo(3) is bonded to two equivalent Hf(1), four equivalent Hf(2), two equivalent Mo(1), and four equivalent Mo(3) atoms to form a mixture of corner, edge, and face-sharing MoHf6Mo6 cuboctahedra. is represented by the CIF file [CIF]
data_HfMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.348
_cell_length_c   17.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   430.307
_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  0.000  0.000  0.405  1.0
  Hf  Hf1  1  0.000  0.000  0.595  1.0
  Hf  Hf2  1  0.000  0.000  0.905  1.0
  Hf  Hf3  1  0.000  0.000  0.095  1.0
  Hf  Hf4  1  0.333  0.667  0.656  1.0
  Hf  Hf5  1  0.667  0.333  0.344  1.0
  Hf  Hf6  1  0.667  0.333  0.156  1.0
  Hf  Hf7  1  0.333  0.667  0.844  1.0
  Mo  Mo8  1  0.333  0.667  0.377  1.0
  Mo  Mo9  1  0.667  0.333  0.623  1.0
  Mo  Mo10  1  0.667  0.333  0.877  1.0
  Mo  Mo11  1  0.333  0.667  0.123  1.0
  Mo  Mo12  1  0.500  0.500  0.500  1.0
  Mo  Mo13  1  0.500  0.000  0.500  1.0
  Mo  Mo14  1  0.000  0.500  0.500  1.0
  Mo  Mo15  1  0.500  0.500  0.000  1.0
  Mo  Mo16  1  0.500  0.000  0.000  1.0
  Mo  Mo17  1  0.000  0.500  0.000  1.0
  Mo  Mo18  1  0.163  0.837  0.250  1.0
  Mo  Mo19  1  0.163  0.327  0.250  1.0
  Mo  Mo20  1  0.673  0.837  0.250  1.0
  Mo  Mo21  1  0.837  0.163  0.750  1.0
  Mo  Mo22  1  0.837  0.673  0.750  1.0
  Mo  Mo23  1  0.327  0.163  0.750  1.0
[/CIF]
.