The material described by HfNbB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Hf(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. Nb(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), four equivalent Nb(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Hf(1), three equivalent Nb(1), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.824
_cell_length_b   4.824
_cell_length_c   3.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.827
_symmetry_Int_Tables_number   1
_cell_volume   48.650
_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  0.853  0.147  0.000  1.0
  Nb  Nb1  1  0.141  0.859  0.500  1.0
  B  B2  1  0.558  0.442  0.000  1.0
  B  B3  1  0.448  0.552  0.500  1.0
[/CIF]
.
The material described by HfNbB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Hf(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. Nb(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), four equivalent Nb(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Hf(1), three equivalent Nb(1), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.824
_cell_length_b   4.824
_cell_length_c   3.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.827
_symmetry_Int_Tables_number   1
_cell_volume   48.650
_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  0.853  0.147  0.000  1.0
  Nb  Nb1  1  0.141  0.859  0.500  1.0
  B  B2  1  0.558  0.442  0.000  1.0
  B  B3  1  0.448  0.552  0.500  1.0
[/CIF]
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