The compound described by HfNbB4 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Immm space group. Hf(1) is bonded to twelve equivalent B(1) atoms to form HfB12 cuboctahedra that share edges with four equivalent Nb(1)B12 cuboctahedra, edges with eight equivalent Hf(1)B12 cuboctahedra, faces with two equivalent Hf(1)B12 cuboctahedra, and faces with six equivalent Nb(1)B12 cuboctahedra. Nb(1) is bonded to twelve equivalent B(1) atoms to form NbB12 cuboctahedra that share edges with four equivalent Hf(1)B12 cuboctahedra, edges with eight equivalent Nb(1)B12 cuboctahedra, faces with two equivalent Nb(1)B12 cuboctahedra, and faces with six equivalent Hf(1)B12 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), three equivalent Nb(1), and three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfNbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.128
_cell_length_b   6.240
_cell_length_c   4.619
_cell_angle_alpha   47.502
_cell_angle_beta   109.789
_cell_angle_gamma   120.081
_symmetry_Int_Tables_number   1
_cell_volume   57.512
_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  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.334  0.584  0.500  1.0
  B  B3  1  0.666  0.916  0.500  1.0
  B  B4  1  0.666  0.416  0.500  1.0
  B  B5  1  0.334  0.084  0.500  1.0
[/CIF]
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The compound described by HfNbB4 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Immm space group. Hf(1) is bonded to twelve equivalent B(1) atoms to form HfB12 cuboctahedra that share edges with four equivalent Nb(1)B12 cuboctahedra, edges with eight equivalent Hf(1)B12 cuboctahedra, faces with two equivalent Hf(1)B12 cuboctahedra, and faces with six equivalent Nb(1)B12 cuboctahedra. Nb(1) is bonded to twelve equivalent B(1) atoms to form NbB12 cuboctahedra that share edges with four equivalent Hf(1)B12 cuboctahedra, edges with eight equivalent Nb(1)B12 cuboctahedra, faces with two equivalent Nb(1)B12 cuboctahedra, and faces with six equivalent Hf(1)B12 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), three equivalent Nb(1), and three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfNbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.128
_cell_length_b   6.240
_cell_length_c   4.619
_cell_angle_alpha   47.502
_cell_angle_beta   109.789
_cell_angle_gamma   120.081
_symmetry_Int_Tables_number   1
_cell_volume   57.512
_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  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.334  0.584  0.500  1.0
  B  B3  1  0.666  0.916  0.500  1.0
  B  B4  1  0.666  0.416  0.500  1.0
  B  B5  1  0.334  0.084  0.500  1.0
[/CIF]
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