The compound described by HfBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hafnium tetrabromide molecules. Hf(1) is bonded in a tetrahedral geometry to one Br(2) and three equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Hf(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.752
_cell_length_b   11.752
_cell_length_c   11.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1623.040
_cell_formula_units_Z   8
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  0.128  0.128  0.128  1.0
  Hf  Hf1  1  0.872  0.872  0.872  1.0
  Hf  Hf2  1  0.372  0.872  0.628  1.0
  Hf  Hf3  1  0.872  0.628  0.372  1.0
  Hf  Hf4  1  0.628  0.128  0.372  1.0
  Hf  Hf5  1  0.128  0.372  0.628  1.0
  Hf  Hf6  1  0.628  0.372  0.872  1.0
  Hf  Hf7  1  0.372  0.628  0.128  1.0
  Br  Br8  1  0.991  0.505  0.253  1.0
  Br  Br9  1  0.009  0.495  0.747  1.0
  Br  Br10  1  0.509  0.495  0.753  1.0
  Br  Br11  1  0.009  0.005  0.247  1.0
  Br  Br12  1  0.253  0.991  0.505  1.0
  Br  Br13  1  0.491  0.505  0.247  1.0
  Br  Br14  1  0.991  0.995  0.753  1.0
  Br  Br15  1  0.747  0.009  0.495  1.0
  Br  Br16  1  0.491  0.995  0.747  1.0
  Br  Br17  1  0.753  0.509  0.495  1.0
  Br  Br18  1  0.509  0.005  0.253  1.0
  Br  Br19  1  0.247  0.491  0.505  1.0
  Br  Br20  1  0.247  0.009  0.005  1.0
  Br  Br21  1  0.753  0.991  0.995  1.0
  Br  Br22  1  0.747  0.491  0.995  1.0
  Br  Br23  1  0.253  0.509  0.005  1.0
  Br  Br24  1  0.505  0.253  0.991  1.0
  Br  Br25  1  0.495  0.747  0.009  1.0
  Br  Br26  1  0.005  0.247  0.009  1.0
  Br  Br27  1  0.995  0.753  0.991  1.0
  Br  Br28  1  0.995  0.747  0.491  1.0
  Br  Br29  1  0.005  0.253  0.509  1.0
  Br  Br30  1  0.495  0.753  0.509  1.0
  Br  Br31  1  0.505  0.247  0.491  1.0
  Br  Br32  1  0.248  0.248  0.248  1.0
  Br  Br33  1  0.752  0.752  0.752  1.0
  Br  Br34  1  0.252  0.752  0.748  1.0
  Br  Br35  1  0.752  0.748  0.252  1.0
  Br  Br36  1  0.748  0.248  0.252  1.0
  Br  Br37  1  0.248  0.252  0.748  1.0
  Br  Br38  1  0.748  0.252  0.752  1.0
  Br  Br39  1  0.252  0.748  0.248  1.0
[/CIF]
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The compound described by HfBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hafnium tetrabromide molecules. Hf(1) is bonded in a tetrahedral geometry to one Br(2) and three equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Hf(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.752
_cell_length_b   11.752
_cell_length_c   11.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1623.040
_cell_formula_units_Z   8
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  0.128  0.128  0.128  1.0
  Hf  Hf1  1  0.872  0.872  0.872  1.0
  Hf  Hf2  1  0.372  0.872  0.628  1.0
  Hf  Hf3  1  0.872  0.628  0.372  1.0
  Hf  Hf4  1  0.628  0.128  0.372  1.0
  Hf  Hf5  1  0.128  0.372  0.628  1.0
  Hf  Hf6  1  0.628  0.372  0.872  1.0
  Hf  Hf7  1  0.372  0.628  0.128  1.0
  Br  Br8  1  0.991  0.505  0.253  1.0
  Br  Br9  1  0.009  0.495  0.747  1.0
  Br  Br10  1  0.509  0.495  0.753  1.0
  Br  Br11  1  0.009  0.005  0.247  1.0
  Br  Br12  1  0.253  0.991  0.505  1.0
  Br  Br13  1  0.491  0.505  0.247  1.0
  Br  Br14  1  0.991  0.995  0.753  1.0
  Br  Br15  1  0.747  0.009  0.495  1.0
  Br  Br16  1  0.491  0.995  0.747  1.0
  Br  Br17  1  0.753  0.509  0.495  1.0
  Br  Br18  1  0.509  0.005  0.253  1.0
  Br  Br19  1  0.247  0.491  0.505  1.0
  Br  Br20  1  0.247  0.009  0.005  1.0
  Br  Br21  1  0.753  0.991  0.995  1.0
  Br  Br22  1  0.747  0.491  0.995  1.0
  Br  Br23  1  0.253  0.509  0.005  1.0
  Br  Br24  1  0.505  0.253  0.991  1.0
  Br  Br25  1  0.495  0.747  0.009  1.0
  Br  Br26  1  0.005  0.247  0.009  1.0
  Br  Br27  1  0.995  0.753  0.991  1.0
  Br  Br28  1  0.995  0.747  0.491  1.0
  Br  Br29  1  0.005  0.253  0.509  1.0
  Br  Br30  1  0.495  0.753  0.509  1.0
  Br  Br31  1  0.505  0.247  0.491  1.0
  Br  Br32  1  0.248  0.248  0.248  1.0
  Br  Br33  1  0.752  0.752  0.752  1.0
  Br  Br34  1  0.252  0.752  0.748  1.0
  Br  Br35  1  0.752  0.748  0.252  1.0
  Br  Br36  1  0.748  0.248  0.252  1.0
  Br  Br37  1  0.248  0.252  0.748  1.0
  Br  Br38  1  0.748  0.252  0.752  1.0
  Br  Br39  1  0.252  0.748  0.248  1.0
[/CIF]
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