The material described by Hf3Rh5 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 10-coordinate geometry to two equivalent Rh(3), four equivalent Rh(1), and four equivalent Rh(2) atoms. In the second Hf site, Hf(2) is bonded in a body-centered cubic geometry to two equivalent Rh(2), two equivalent Rh(3), and four equivalent Rh(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Hf(2) and four equivalent Hf(1) atoms. In the third Rh site, Rh(3) is bonded in a 6-coordinate geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_Hf3Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.262
_cell_length_b   5.576
_cell_length_c   10.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.870
_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  0.500  0.156  0.646  1.0
  Hf  Hf1  1  0.500  0.844  0.354  1.0
  Hf  Hf2  1  0.500  0.656  0.854  1.0
  Hf  Hf3  1  0.500  0.344  0.146  1.0
  Hf  Hf4  1  0.000  0.500  0.500  1.0
  Hf  Hf5  1  0.000  0.000  0.000  1.0
  Rh  Rh6  1  0.500  0.183  0.893  1.0
  Rh  Rh7  1  0.500  0.817  0.107  1.0
  Rh  Rh8  1  0.500  0.683  0.607  1.0
  Rh  Rh9  1  0.500  0.317  0.393  1.0
  Rh  Rh10  1  0.000  0.398  0.742  1.0
  Rh  Rh11  1  0.000  0.602  0.258  1.0
  Rh  Rh12  1  0.000  0.000  0.500  1.0
  Rh  Rh13  1  0.000  0.500  0.000  1.0
  Rh  Rh14  1  0.000  0.102  0.242  1.0
  Rh  Rh15  1  0.000  0.898  0.758  1.0
[/CIF]
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The material described by Hf3Rh5 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 10-coordinate geometry to two equivalent Rh(3), four equivalent Rh(1), and four equivalent Rh(2) atoms. In the second Hf site, Hf(2) is bonded in a body-centered cubic geometry to two equivalent Rh(2), two equivalent Rh(3), and four equivalent Rh(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Hf(2) and four equivalent Hf(1) atoms. In the third Rh site, Rh(3) is bonded in a 6-coordinate geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_Hf3Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.262
_cell_length_b   5.576
_cell_length_c   10.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.870
_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  0.500  0.156  0.646  1.0
  Hf  Hf1  1  0.500  0.844  0.354  1.0
  Hf  Hf2  1  0.500  0.656  0.854  1.0
  Hf  Hf3  1  0.500  0.344  0.146  1.0
  Hf  Hf4  1  0.000  0.500  0.500  1.0
  Hf  Hf5  1  0.000  0.000  0.000  1.0
  Rh  Rh6  1  0.500  0.183  0.893  1.0
  Rh  Rh7  1  0.500  0.817  0.107  1.0
  Rh  Rh8  1  0.500  0.683  0.607  1.0
  Rh  Rh9  1  0.500  0.317  0.393  1.0
  Rh  Rh10  1  0.000  0.398  0.742  1.0
  Rh  Rh11  1  0.000  0.602  0.258  1.0
  Rh  Rh12  1  0.000  0.000  0.500  1.0
  Rh  Rh13  1  0.000  0.500  0.000  1.0
  Rh  Rh14  1  0.000  0.102  0.242  1.0
  Rh  Rh15  1  0.000  0.898  0.758  1.0
[/CIF]
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