The structure described by HfRhAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to three equivalent Hf(2), one Rh(3), two equivalent Rh(1), two equivalent Rh(2), and four equivalent Al(2) atoms. In the second Hf site, Hf(2) is bonded in a 16-coordinate geometry to one Hf(2), three equivalent Hf(1), one Rh(1), two equivalent Rh(3), four equivalent Rh(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent Hf(2), four equivalent Hf(1), two equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and edge-sharing RhHf6Al6 cuboctahedra. In the second Rh site, Rh(2) is bonded in a 12-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Al(1) atoms. In the third Rh site, Rh(3) is bonded in a 12-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), four equivalent Rh(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to three equivalent Hf(2), one Rh(1), one Rh(3), two equivalent Rh(2), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Rh(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_HfAlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.304
_cell_length_b   5.304
_cell_length_c   8.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.356
_symmetry_Int_Tables_number   1
_cell_volume   201.515
_cell_formula_units_Z   4
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  0.334  0.666  0.210  1.0
  Hf  Hf1  1  0.670  0.330  0.320  1.0
  Hf  Hf2  1  0.670  0.330  0.680  1.0
  Hf  Hf3  1  0.334  0.666  0.790  1.0
  Al  Al4  1  0.996  0.004  0.256  1.0
  Al  Al5  1  0.996  0.004  0.744  1.0
  Al  Al6  1  0.829  0.655  0.000  1.0
  Al  Al7  1  0.345  0.171  0.000  1.0
  Rh  Rh8  1  0.830  0.170  0.000  1.0
  Rh  Rh9  1  0.169  0.338  0.500  1.0
  Rh  Rh10  1  0.662  0.831  0.500  1.0
  Rh  Rh11  1  0.167  0.833  0.500  1.0
[/CIF]
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The structure described by HfRhAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to three equivalent Hf(2), one Rh(3), two equivalent Rh(1), two equivalent Rh(2), and four equivalent Al(2) atoms. In the second Hf site, Hf(2) is bonded in a 16-coordinate geometry to one Hf(2), three equivalent Hf(1), one Rh(1), two equivalent Rh(3), four equivalent Rh(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent Hf(2), four equivalent Hf(1), two equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and edge-sharing RhHf6Al6 cuboctahedra. In the second Rh site, Rh(2) is bonded in a 12-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Al(1) atoms. In the third Rh site, Rh(3) is bonded in a 12-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), four equivalent Rh(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to three equivalent Hf(2), one Rh(1), one Rh(3), two equivalent Rh(2), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Rh(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_HfAlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.304
_cell_length_b   5.304
_cell_length_c   8.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.356
_symmetry_Int_Tables_number   1
_cell_volume   201.515
_cell_formula_units_Z   4
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  0.334  0.666  0.210  1.0
  Hf  Hf1  1  0.670  0.330  0.320  1.0
  Hf  Hf2  1  0.670  0.330  0.680  1.0
  Hf  Hf3  1  0.334  0.666  0.790  1.0
  Al  Al4  1  0.996  0.004  0.256  1.0
  Al  Al5  1  0.996  0.004  0.744  1.0
  Al  Al6  1  0.829  0.655  0.000  1.0
  Al  Al7  1  0.345  0.171  0.000  1.0
  Rh  Rh8  1  0.830  0.170  0.000  1.0
  Rh  Rh9  1  0.169  0.338  0.500  1.0
  Rh  Rh10  1  0.662  0.831  0.500  1.0
  Rh  Rh11  1  0.167  0.833  0.500  1.0
[/CIF]
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