The material structure described by Hf(BH4)4 is alpha Po structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one Hf(BH4)4 cluster. Hf(1) is bonded to twelve equivalent H(1) atoms to form HfH12 cuboctahedra that share faces with four equivalent B(1)H4 tetrahedra. B(1) is bonded to one H(2) and three equivalent H(1) atoms to form BH4 tetrahedra that share  a faceface with one Hf(1)H12 cuboctahedra. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(1) is bonded in a distorted single-bond geometry to one Hf(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   5.983
_cell_length_c   5.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.139
_cell_formula_units_Z   1
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  0.000  1.0
  B  B1  1  0.220  0.780  0.780  1.0
  B  B2  1  0.780  0.780  0.220  1.0
  B  B3  1  0.780  0.220  0.780  1.0
  B  B4  1  0.220  0.220  0.220  1.0
  H  H5  1  0.751  0.751  0.016  1.0
  H  H6  1  0.249  0.984  0.751  1.0
  H  H7  1  0.984  0.249  0.751  1.0
  H  H8  1  0.249  0.016  0.249  1.0
  H  H9  1  0.016  0.249  0.249  1.0
  H  H10  1  0.334  0.334  0.334  1.0
  H  H11  1  0.666  0.334  0.666  1.0
  H  H12  1  0.666  0.666  0.334  1.0
  H  H13  1  0.334  0.666  0.666  1.0
  H  H14  1  0.249  0.249  0.016  1.0
  H  H15  1  0.751  0.016  0.751  1.0
  H  H16  1  0.751  0.984  0.249  1.0
  H  H17  1  0.984  0.751  0.249  1.0
  H  H18  1  0.016  0.751  0.751  1.0
  H  H19  1  0.249  0.751  0.984  1.0
  H  H20  1  0.751  0.249  0.984  1.0
[/CIF]
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The material structure described by Hf(BH4)4 is alpha Po structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one Hf(BH4)4 cluster. Hf(1) is bonded to twelve equivalent H(1) atoms to form HfH12 cuboctahedra that share faces with four equivalent B(1)H4 tetrahedra. B(1) is bonded to one H(2) and three equivalent H(1) atoms to form BH4 tetrahedra that share  a faceface with one Hf(1)H12 cuboctahedra. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(1) is bonded in a distorted single-bond geometry to one Hf(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   5.983
_cell_length_c   5.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.139
_cell_formula_units_Z   1
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  0.000  1.0
  B  B1  1  0.220  0.780  0.780  1.0
  B  B2  1  0.780  0.780  0.220  1.0
  B  B3  1  0.780  0.220  0.780  1.0
  B  B4  1  0.220  0.220  0.220  1.0
  H  H5  1  0.751  0.751  0.016  1.0
  H  H6  1  0.249  0.984  0.751  1.0
  H  H7  1  0.984  0.249  0.751  1.0
  H  H8  1  0.249  0.016  0.249  1.0
  H  H9  1  0.016  0.249  0.249  1.0
  H  H10  1  0.334  0.334  0.334  1.0
  H  H11  1  0.666  0.334  0.666  1.0
  H  H12  1  0.666  0.666  0.334  1.0
  H  H13  1  0.334  0.666  0.666  1.0
  H  H14  1  0.249  0.249  0.016  1.0
  H  H15  1  0.751  0.016  0.751  1.0
  H  H16  1  0.751  0.984  0.249  1.0
  H  H17  1  0.984  0.751  0.249  1.0
  H  H18  1  0.016  0.751  0.751  1.0
  H  H19  1  0.249  0.751  0.984  1.0
  H  H20  1  0.751  0.249  0.984  1.0
[/CIF]
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