The crystal structure described by RhNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Rh(1) is bonded to twelve Ni(1,1,1) atoms to form RhNi12 cuboctahedra that share corners with six equivalent Rh(1)Ni12 cuboctahedra; corners with twelve Ni(1,1,1)Ni8Rh4 cuboctahedra; edges with eighteen Ni(1,1,1)Ni8Rh4 cuboctahedra; faces with eight equivalent Rh(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1,1)Ni8Rh4 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Rh(1) and eight Ni(1,1) atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Rh4 cuboctahedra; edges with six equivalent Rh(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Rh4 cuboctahedra; faces with four equivalent Rh(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1,1)Ni8Rh4 cuboctahedra. In the second Ni site, Ni(1) is bonded to four equivalent Rh(1) and eight Ni(1,1) atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Rh4 cuboctahedra; edges with six equivalent Rh(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Rh4 cuboctahedra; faces with four equivalent Rh(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1,1)Ni8Rh4 cuboctahedra. In the third Ni site, Ni(1) is bonded to four equivalent Rh(1) and eight Ni(1,1) atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1,1)Ni8Rh4 cuboctahedra; edges with six equivalent Rh(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Rh4 cuboctahedra; faces with four equivalent Rh(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1,1)Ni8Rh4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.088
_cell_length_b   5.088
_cell_length_c   4.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   92.157
_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
  Ni  Ni0  1  0.163  0.326  0.250  1.0
  Ni  Ni1  1  0.673  0.837  0.250  1.0
  Ni  Ni2  1  0.163  0.837  0.250  1.0
  Ni  Ni3  1  0.837  0.673  0.750  1.0
  Ni  Ni4  1  0.327  0.163  0.750  1.0
  Ni  Ni5  1  0.837  0.163  0.750  1.0
  Rh  Rh6  1  0.333  0.667  0.750  1.0
  Rh  Rh7  1  0.667  0.333  0.250  1.0
[/CIF]
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The crystal structure described by RhNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Rh(1) is bonded to twelve Ni(1,1,1) atoms to form RhNi12 cuboctahedra that share corners with six equivalent Rh(1)Ni12 cuboctahedra; corners with twelve Ni(1,1,1)Ni8Rh4 cuboctahedra; edges with eighteen Ni(1,1,1)Ni8Rh4 cuboctahedra; faces with eight equivalent Rh(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1,1)Ni8Rh4 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Rh(1) and eight Ni(1,1) atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Rh4 cuboctahedra; edges with six equivalent Rh(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Rh4 cuboctahedra; faces with four equivalent Rh(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1,1)Ni8Rh4 cuboctahedra. In the second Ni site, Ni(1) is bonded to four equivalent Rh(1) and eight Ni(1,1) atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Rh4 cuboctahedra; edges with six equivalent Rh(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Rh4 cuboctahedra; faces with four equivalent Rh(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1,1)Ni8Rh4 cuboctahedra. In the third Ni site, Ni(1) is bonded to four equivalent Rh(1) and eight Ni(1,1) atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1,1)Ni8Rh4 cuboctahedra; edges with six equivalent Rh(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Rh4 cuboctahedra; faces with four equivalent Rh(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1,1)Ni8Rh4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.088
_cell_length_b   5.088
_cell_length_c   4.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   92.157
_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
  Ni  Ni0  1  0.163  0.326  0.250  1.0
  Ni  Ni1  1  0.673  0.837  0.250  1.0
  Ni  Ni2  1  0.163  0.837  0.250  1.0
  Ni  Ni3  1  0.837  0.673  0.750  1.0
  Ni  Ni4  1  0.327  0.163  0.750  1.0
  Ni  Ni5  1  0.837  0.163  0.750  1.0
  Rh  Rh6  1  0.333  0.667  0.750  1.0
  Rh  Rh7  1  0.667  0.333  0.250  1.0
[/CIF]
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