The material structure described by Hf9Re4B crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 1-coordinate geometry to one Re(2), three equivalent Re(1), and one B(1) atom. In the second Hf site, Hf(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one B(1) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 12-coordinate geometry to two equivalent Hf(2), six equivalent Hf(1), two equivalent Re(1), and two equivalent Re(2) atoms. In the second Re site, Re(2) is bonded to six equivalent Hf(1) and six equivalent Re(1) atoms to form face-sharing ReHf6Re6 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_Hf9Re4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.443
_cell_length_b   8.443
_cell_length_c   8.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   529.590
_cell_formula_units_Z   2
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  0.201  0.799  0.446  1.0
  Hf  Hf1  1  0.201  0.402  0.446  1.0
  Hf  Hf2  1  0.598  0.799  0.446  1.0
  Hf  Hf3  1  0.799  0.201  0.554  1.0
  Hf  Hf4  1  0.799  0.598  0.554  1.0
  Hf  Hf5  1  0.402  0.201  0.554  1.0
  Hf  Hf6  1  0.799  0.201  0.946  1.0
  Hf  Hf7  1  0.799  0.598  0.946  1.0
  Hf  Hf8  1  0.402  0.201  0.946  1.0
  Hf  Hf9  1  0.201  0.799  0.054  1.0
  Hf  Hf10  1  0.201  0.402  0.054  1.0
  Hf  Hf11  1  0.598  0.799  0.054  1.0
  Hf  Hf12  1  0.540  0.460  0.250  1.0
  Hf  Hf13  1  0.540  0.080  0.250  1.0
  Hf  Hf14  1  0.920  0.460  0.250  1.0
  Hf  Hf15  1  0.460  0.540  0.750  1.0
  Hf  Hf16  1  0.460  0.920  0.750  1.0
  Hf  Hf17  1  0.080  0.540  0.750  1.0
  Re  Re18  1  0.890  0.110  0.250  1.0
  Re  Re19  1  0.890  0.779  0.250  1.0
  Re  Re20  1  0.221  0.110  0.250  1.0
  Re  Re21  1  0.110  0.890  0.750  1.0
  Re  Re22  1  0.110  0.221  0.750  1.0
  Re  Re23  1  0.779  0.890  0.750  1.0
  Re  Re24  1  0.000  0.000  0.500  1.0
  Re  Re25  1  0.000  0.000  0.000  1.0
  B  B26  1  0.333  0.667  0.250  1.0
  B  B27  1  0.667  0.333  0.750  1.0
[/CIF]
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The material structure described by Hf9Re4B crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 1-coordinate geometry to one Re(2), three equivalent Re(1), and one B(1) atom. In the second Hf site, Hf(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one B(1) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 12-coordinate geometry to two equivalent Hf(2), six equivalent Hf(1), two equivalent Re(1), and two equivalent Re(2) atoms. In the second Re site, Re(2) is bonded to six equivalent Hf(1) and six equivalent Re(1) atoms to form face-sharing ReHf6Re6 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_Hf9Re4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.443
_cell_length_b   8.443
_cell_length_c   8.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   529.590
_cell_formula_units_Z   2
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  0.201  0.799  0.446  1.0
  Hf  Hf1  1  0.201  0.402  0.446  1.0
  Hf  Hf2  1  0.598  0.799  0.446  1.0
  Hf  Hf3  1  0.799  0.201  0.554  1.0
  Hf  Hf4  1  0.799  0.598  0.554  1.0
  Hf  Hf5  1  0.402  0.201  0.554  1.0
  Hf  Hf6  1  0.799  0.201  0.946  1.0
  Hf  Hf7  1  0.799  0.598  0.946  1.0
  Hf  Hf8  1  0.402  0.201  0.946  1.0
  Hf  Hf9  1  0.201  0.799  0.054  1.0
  Hf  Hf10  1  0.201  0.402  0.054  1.0
  Hf  Hf11  1  0.598  0.799  0.054  1.0
  Hf  Hf12  1  0.540  0.460  0.250  1.0
  Hf  Hf13  1  0.540  0.080  0.250  1.0
  Hf  Hf14  1  0.920  0.460  0.250  1.0
  Hf  Hf15  1  0.460  0.540  0.750  1.0
  Hf  Hf16  1  0.460  0.920  0.750  1.0
  Hf  Hf17  1  0.080  0.540  0.750  1.0
  Re  Re18  1  0.890  0.110  0.250  1.0
  Re  Re19  1  0.890  0.779  0.250  1.0
  Re  Re20  1  0.221  0.110  0.250  1.0
  Re  Re21  1  0.110  0.890  0.750  1.0
  Re  Re22  1  0.110  0.221  0.750  1.0
  Re  Re23  1  0.779  0.890  0.750  1.0
  Re  Re24  1  0.000  0.000  0.500  1.0
  Re  Re25  1  0.000  0.000  0.000  1.0
  B  B26  1  0.333  0.667  0.250  1.0
  B  B27  1  0.667  0.333  0.750  1.0
[/CIF]
.