The material described by HfV2H4 crystallizes in the tetragonal I4_1/a space group. Hf(1) is bonded in a 8-coordinate geometry to eight equivalent H(1) atoms. V(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent H(1) atoms. H(1) is bonded to two equivalent Hf(1) and two equivalent V(1) atoms to form a mixture of corner and edge-sharing HHf2V2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf(VH2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   5.388
_cell_length_c   5.389
_cell_angle_alpha   89.973
_cell_angle_beta   119.621
_cell_angle_gamma   119.616
_symmetry_Int_Tables_number   1
_cell_volume   113.285
_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  0.750  0.875  0.125  1.0
  Hf  Hf1  1  0.250  0.125  0.875  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  H  H6  1  0.373  0.505  0.118  1.0
  H  H7  1  0.127  0.882  0.132  1.0
  H  H8  1  0.627  0.132  0.245  1.0
  H  H9  1  0.127  0.245  0.495  1.0
  H  H10  1  0.873  0.755  0.505  1.0
  H  H11  1  0.373  0.868  0.755  1.0
  H  H12  1  0.873  0.118  0.868  1.0
  H  H13  1  0.627  0.495  0.882  1.0
[/CIF]
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The material described by HfV2H4 crystallizes in the tetragonal I4_1/a space group. Hf(1) is bonded in a 8-coordinate geometry to eight equivalent H(1) atoms. V(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent H(1) atoms. H(1) is bonded to two equivalent Hf(1) and two equivalent V(1) atoms to form a mixture of corner and edge-sharing HHf2V2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf(VH2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   5.388
_cell_length_c   5.389
_cell_angle_alpha   89.973
_cell_angle_beta   119.621
_cell_angle_gamma   119.616
_symmetry_Int_Tables_number   1
_cell_volume   113.285
_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  0.750  0.875  0.125  1.0
  Hf  Hf1  1  0.250  0.125  0.875  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  H  H6  1  0.373  0.505  0.118  1.0
  H  H7  1  0.127  0.882  0.132  1.0
  H  H8  1  0.627  0.132  0.245  1.0
  H  H9  1  0.127  0.245  0.495  1.0
  H  H10  1  0.873  0.755  0.505  1.0
  H  H11  1  0.373  0.868  0.755  1.0
  H  H12  1  0.873  0.118  0.868  1.0
  H  H13  1  0.627  0.495  0.882  1.0
[/CIF]
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