The material structure described by Rh3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to twelve Rh(1,1,1) atoms to form NbRh12 cuboctahedra that share corners with six equivalent Nb(1)Rh12 cuboctahedra; corners with twelve Rh(1,1)Nb4Rh8 cuboctahedra; edges with eighteen Rh(1,1,1)Nb4Rh8 cuboctahedra; faces with eight equivalent Nb(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1,1)Nb4Rh8 cuboctahedra. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Nb(1) and eight equivalent Rh(1) atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with four equivalent Nb(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Nb4Rh8 cuboctahedra; edges with six equivalent Nb(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Nb4Rh8 cuboctahedra; faces with four equivalent Nb(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Nb4Rh8 cuboctahedra. In the second Rh site, Rh(1) is bonded to four equivalent Nb(1) and eight Rh(1,1,1) atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with four equivalent Nb(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Nb4Rh8 cuboctahedra; edges with six equivalent Nb(1)Rh12 cuboctahedra; edges with twelve Rh(1,1,1)Nb4Rh8 cuboctahedra; faces with four equivalent Nb(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Nb4Rh8 cuboctahedra. In the third Rh site, Rh(1) is bonded to four equivalent Nb(1) and eight equivalent Rh(1) atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with four equivalent Nb(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Nb4Rh8 cuboctahedra; edges with six equivalent Nb(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Nb4Rh8 cuboctahedra; faces with four equivalent Nb(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Nb4Rh8 cuboctahedra. is represented by the CIF file [CIF]
data_NbRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   4.419
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   116.773
_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
  Nb  Nb0  1  0.667  0.333  0.250  1.0
  Nb  Nb1  1  0.333  0.667  0.750  1.0
  Rh  Rh2  1  0.836  0.164  0.750  1.0
  Rh  Rh3  1  0.327  0.164  0.750  1.0
  Rh  Rh4  1  0.836  0.673  0.750  1.0
  Rh  Rh5  1  0.164  0.836  0.250  1.0
  Rh  Rh6  1  0.673  0.836  0.250  1.0
  Rh  Rh7  1  0.164  0.327  0.250  1.0
[/CIF]
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The material structure described by Rh3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to twelve Rh(1,1,1) atoms to form NbRh12 cuboctahedra that share corners with six equivalent Nb(1)Rh12 cuboctahedra; corners with twelve Rh(1,1)Nb4Rh8 cuboctahedra; edges with eighteen Rh(1,1,1)Nb4Rh8 cuboctahedra; faces with eight equivalent Nb(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1,1)Nb4Rh8 cuboctahedra. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Nb(1) and eight equivalent Rh(1) atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with four equivalent Nb(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Nb4Rh8 cuboctahedra; edges with six equivalent Nb(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Nb4Rh8 cuboctahedra; faces with four equivalent Nb(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Nb4Rh8 cuboctahedra. In the second Rh site, Rh(1) is bonded to four equivalent Nb(1) and eight Rh(1,1,1) atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with four equivalent Nb(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Nb4Rh8 cuboctahedra; edges with six equivalent Nb(1)Rh12 cuboctahedra; edges with twelve Rh(1,1,1)Nb4Rh8 cuboctahedra; faces with four equivalent Nb(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Nb4Rh8 cuboctahedra. In the third Rh site, Rh(1) is bonded to four equivalent Nb(1) and eight equivalent Rh(1) atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with four equivalent Nb(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Nb4Rh8 cuboctahedra; edges with six equivalent Nb(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Nb4Rh8 cuboctahedra; faces with four equivalent Nb(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Nb4Rh8 cuboctahedra. is represented by the CIF file [CIF]
data_NbRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   4.419
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   116.773
_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
  Nb  Nb0  1  0.667  0.333  0.250  1.0
  Nb  Nb1  1  0.333  0.667  0.750  1.0
  Rh  Rh2  1  0.836  0.164  0.750  1.0
  Rh  Rh3  1  0.327  0.164  0.750  1.0
  Rh  Rh4  1  0.836  0.673  0.750  1.0
  Rh  Rh5  1  0.164  0.836  0.250  1.0
  Rh  Rh6  1  0.673  0.836  0.250  1.0
  Rh  Rh7  1  0.164  0.327  0.250  1.0
[/CIF]
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