The material structure described by Hf9Re4As 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 5-coordinate geometry to one Re(2), three equivalent Re(1), and one As(1) atom. In the second Hf site, Hf(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one As(1) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Hf(2), six equivalent Hf(1), two equivalent Re(1), and two equivalent Re(2) atoms to form distorted ReHf8Re4 cuboctahedra that share corners with four equivalent Re(1)Hf8Re4 cuboctahedra, faces with two equivalent Re(2)Hf6Re6 cuboctahedra, and faces with six equivalent Re(1)Hf8Re4 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Hf(1) and six equivalent Re(1) atoms to form ReHf6Re6 cuboctahedra that share faces with two equivalent Re(2)Hf6Re6 cuboctahedra and faces with six equivalent Re(1)Hf8Re4 cuboctahedra. As(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf9Re4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   8.606
_cell_length_c   8.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.008
_symmetry_Int_Tables_number   1
_cell_volume   550.384
_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  0.808  0.617  0.550  1.0
  Hf  Hf1  1  0.808  0.192  0.550  1.0
  Hf  Hf2  1  0.383  0.192  0.550  1.0
  Hf  Hf3  1  0.192  0.383  0.450  1.0
  Hf  Hf4  1  0.192  0.808  0.450  1.0
  Hf  Hf5  1  0.617  0.808  0.450  1.0
  Hf  Hf6  1  0.192  0.383  0.050  1.0
  Hf  Hf7  1  0.192  0.808  0.050  1.0
  Hf  Hf8  1  0.617  0.808  0.050  1.0
  Hf  Hf9  1  0.808  0.617  0.950  1.0
  Hf  Hf10  1  0.808  0.192  0.950  1.0
  Hf  Hf11  1  0.383  0.192  0.950  1.0
  Hf  Hf12  1  0.456  0.911  0.750  1.0
  Hf  Hf13  1  0.456  0.544  0.750  1.0
  Hf  Hf14  1  0.089  0.544  0.750  1.0
  Hf  Hf15  1  0.544  0.089  0.250  1.0
  Hf  Hf16  1  0.544  0.456  0.250  1.0
  Hf  Hf17  1  0.911  0.456  0.250  1.0
  Re  Re18  1  0.110  0.221  0.750  1.0
  Re  Re19  1  0.110  0.890  0.750  1.0
  Re  Re20  1  0.779  0.890  0.750  1.0
  Re  Re21  1  0.890  0.779  0.250  1.0
  Re  Re22  1  0.890  0.110  0.250  1.0
  Re  Re23  1  0.221  0.110  0.250  1.0
  Re  Re24  1  0.000  0.000  0.500  1.0
  Re  Re25  1  0.000  0.000  0.000  1.0
  As  As26  1  0.667  0.333  0.750  1.0
  As  As27  1  0.333  0.667  0.250  1.0
[/CIF]
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The material structure described by Hf9Re4As 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 5-coordinate geometry to one Re(2), three equivalent Re(1), and one As(1) atom. In the second Hf site, Hf(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one As(1) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Hf(2), six equivalent Hf(1), two equivalent Re(1), and two equivalent Re(2) atoms to form distorted ReHf8Re4 cuboctahedra that share corners with four equivalent Re(1)Hf8Re4 cuboctahedra, faces with two equivalent Re(2)Hf6Re6 cuboctahedra, and faces with six equivalent Re(1)Hf8Re4 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Hf(1) and six equivalent Re(1) atoms to form ReHf6Re6 cuboctahedra that share faces with two equivalent Re(2)Hf6Re6 cuboctahedra and faces with six equivalent Re(1)Hf8Re4 cuboctahedra. As(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf9Re4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   8.606
_cell_length_c   8.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.008
_symmetry_Int_Tables_number   1
_cell_volume   550.384
_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  0.808  0.617  0.550  1.0
  Hf  Hf1  1  0.808  0.192  0.550  1.0
  Hf  Hf2  1  0.383  0.192  0.550  1.0
  Hf  Hf3  1  0.192  0.383  0.450  1.0
  Hf  Hf4  1  0.192  0.808  0.450  1.0
  Hf  Hf5  1  0.617  0.808  0.450  1.0
  Hf  Hf6  1  0.192  0.383  0.050  1.0
  Hf  Hf7  1  0.192  0.808  0.050  1.0
  Hf  Hf8  1  0.617  0.808  0.050  1.0
  Hf  Hf9  1  0.808  0.617  0.950  1.0
  Hf  Hf10  1  0.808  0.192  0.950  1.0
  Hf  Hf11  1  0.383  0.192  0.950  1.0
  Hf  Hf12  1  0.456  0.911  0.750  1.0
  Hf  Hf13  1  0.456  0.544  0.750  1.0
  Hf  Hf14  1  0.089  0.544  0.750  1.0
  Hf  Hf15  1  0.544  0.089  0.250  1.0
  Hf  Hf16  1  0.544  0.456  0.250  1.0
  Hf  Hf17  1  0.911  0.456  0.250  1.0
  Re  Re18  1  0.110  0.221  0.750  1.0
  Re  Re19  1  0.110  0.890  0.750  1.0
  Re  Re20  1  0.779  0.890  0.750  1.0
  Re  Re21  1  0.890  0.779  0.250  1.0
  Re  Re22  1  0.890  0.110  0.250  1.0
  Re  Re23  1  0.221  0.110  0.250  1.0
  Re  Re24  1  0.000  0.000  0.500  1.0
  Re  Re25  1  0.000  0.000  0.000  1.0
  As  As26  1  0.667  0.333  0.750  1.0
  As  As27  1  0.333  0.667  0.250  1.0
[/CIF]
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