The material described by Hf6Co7Ga16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded to four equivalent Hf(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing CoHf4Ga8 cuboctahedra. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Co(2), and three equivalent Ga(1) atoms. In the second Ga site, Ga(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Co(1), three equivalent Co(2), three equivalent Ga(1), and three equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf6Ga16Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.494
_cell_length_b   8.494
_cell_length_c   8.494
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   433.379
_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  0.695  0.695  0.305  1.0
  Hf  Hf1  1  0.305  0.695  0.305  1.0
  Hf  Hf2  1  0.695  0.305  0.305  1.0
  Hf  Hf3  1  0.305  0.305  0.695  1.0
  Hf  Hf4  1  0.695  0.305  0.695  1.0
  Hf  Hf5  1  0.305  0.695  0.695  1.0
  Ga  Ga6  1  0.879  0.879  0.362  1.0
  Ga  Ga7  1  0.879  0.362  0.879  1.0
  Ga  Ga8  1  0.362  0.879  0.879  1.0
  Ga  Ga9  1  0.879  0.879  0.879  1.0
  Ga  Ga10  1  0.121  0.121  0.638  1.0
  Ga  Ga11  1  0.121  0.638  0.121  1.0
  Ga  Ga12  1  0.638  0.121  0.121  1.0
  Ga  Ga13  1  0.121  0.121  0.121  1.0
  Ga  Ga14  1  0.660  0.660  0.020  1.0
  Ga  Ga15  1  0.660  0.020  0.660  1.0
  Ga  Ga16  1  0.020  0.660  0.660  1.0
  Ga  Ga17  1  0.660  0.660  0.660  1.0
  Ga  Ga18  1  0.340  0.340  0.980  1.0
  Ga  Ga19  1  0.340  0.980  0.340  1.0
  Ga  Ga20  1  0.980  0.340  0.340  1.0
  Ga  Ga21  1  0.340  0.340  0.340  1.0
  Co  Co22  1  0.000  0.000  0.000  1.0
  Co  Co23  1  0.000  0.000  0.500  1.0
  Co  Co24  1  0.500  0.000  0.500  1.0
  Co  Co25  1  0.000  0.500  0.500  1.0
  Co  Co26  1  0.500  0.500  0.000  1.0
  Co  Co27  1  0.000  0.500  0.000  1.0
  Co  Co28  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Hf6Co7Ga16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded to four equivalent Hf(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing CoHf4Ga8 cuboctahedra. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Co(2), and three equivalent Ga(1) atoms. In the second Ga site, Ga(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Co(1), three equivalent Co(2), three equivalent Ga(1), and three equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf6Ga16Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.494
_cell_length_b   8.494
_cell_length_c   8.494
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   433.379
_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  0.695  0.695  0.305  1.0
  Hf  Hf1  1  0.305  0.695  0.305  1.0
  Hf  Hf2  1  0.695  0.305  0.305  1.0
  Hf  Hf3  1  0.305  0.305  0.695  1.0
  Hf  Hf4  1  0.695  0.305  0.695  1.0
  Hf  Hf5  1  0.305  0.695  0.695  1.0
  Ga  Ga6  1  0.879  0.879  0.362  1.0
  Ga  Ga7  1  0.879  0.362  0.879  1.0
  Ga  Ga8  1  0.362  0.879  0.879  1.0
  Ga  Ga9  1  0.879  0.879  0.879  1.0
  Ga  Ga10  1  0.121  0.121  0.638  1.0
  Ga  Ga11  1  0.121  0.638  0.121  1.0
  Ga  Ga12  1  0.638  0.121  0.121  1.0
  Ga  Ga13  1  0.121  0.121  0.121  1.0
  Ga  Ga14  1  0.660  0.660  0.020  1.0
  Ga  Ga15  1  0.660  0.020  0.660  1.0
  Ga  Ga16  1  0.020  0.660  0.660  1.0
  Ga  Ga17  1  0.660  0.660  0.660  1.0
  Ga  Ga18  1  0.340  0.340  0.980  1.0
  Ga  Ga19  1  0.340  0.980  0.340  1.0
  Ga  Ga20  1  0.980  0.340  0.340  1.0
  Ga  Ga21  1  0.340  0.340  0.340  1.0
  Co  Co22  1  0.000  0.000  0.000  1.0
  Co  Co23  1  0.000  0.000  0.500  1.0
  Co  Co24  1  0.500  0.000  0.500  1.0
  Co  Co25  1  0.000  0.500  0.500  1.0
  Co  Co26  1  0.500  0.500  0.000  1.0
  Co  Co27  1  0.000  0.500  0.000  1.0
  Co  Co28  1  0.500  0.000  0.000  1.0
[/CIF]
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