The material structure described by HfV2 is Cubic Laves structured and crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent V(2), three equivalent V(3), and six equivalent V(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent Hf(1), two equivalent V(1), two equivalent V(2), and two equivalent V(3) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. In the second V site, V(2) is bonded to six equivalent Hf(1), two equivalent V(3), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. In the third V site, V(3) is bonded to six equivalent Hf(1), two equivalent V(2), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. is represented by the CIF file [CIF]
data_HfV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.176
_cell_length_c   5.180
_cell_angle_alpha   118.530
_cell_angle_beta   118.360
_cell_angle_gamma   92.847
_symmetry_Int_Tables_number   1
_cell_volume   100.065
_cell_formula_units_Z   2
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  0.498  0.501  0.996  1.0
  Hf  Hf1  1  0.252  0.749  0.504  1.0
  V  V2  1  0.875  0.625  0.750  1.0
  V  V3  1  0.375  0.125  0.250  1.0
  V  V4  1  0.875  0.125  0.750  1.0
  V  V5  1  0.875  0.125  0.250  1.0
[/CIF]
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The material structure described by HfV2 is Cubic Laves structured and crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent V(2), three equivalent V(3), and six equivalent V(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent Hf(1), two equivalent V(1), two equivalent V(2), and two equivalent V(3) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. In the second V site, V(2) is bonded to six equivalent Hf(1), two equivalent V(3), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. In the third V site, V(3) is bonded to six equivalent Hf(1), two equivalent V(2), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. is represented by the CIF file [CIF]
data_HfV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.176
_cell_length_c   5.180
_cell_angle_alpha   118.530
_cell_angle_beta   118.360
_cell_angle_gamma   92.847
_symmetry_Int_Tables_number   1
_cell_volume   100.065
_cell_formula_units_Z   2
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  0.498  0.501  0.996  1.0
  Hf  Hf1  1  0.252  0.749  0.504  1.0
  V  V2  1  0.875  0.625  0.750  1.0
  V  V3  1  0.375  0.125  0.250  1.0
  V  V4  1  0.875  0.125  0.750  1.0
  V  V5  1  0.875  0.125  0.250  1.0
[/CIF]
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