The structure described by Ru3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to twelve Ru(1,1) atoms to form NbRu12 cuboctahedra that share corners with six equivalent Nb(1)Ru12 cuboctahedra; corners with twelve equivalent Ru(1)Nb4Ru8 cuboctahedra; edges with eighteen Ru(1,1)Nb4Ru8 cuboctahedra; faces with eight equivalent Nb(1)Ru12 cuboctahedra; and faces with twelve Ru(1,1)Nb4Ru8 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Nb(1) and eight equivalent Ru(1) atoms to form distorted RuNb4Ru8 cuboctahedra that share corners with four equivalent Nb(1)Ru12 cuboctahedra; corners with fourteen Ru(1,1)Nb4Ru8 cuboctahedra; edges with six equivalent Nb(1)Ru12 cuboctahedra; edges with twelve equivalent Ru(1)Nb4Ru8 cuboctahedra; faces with four equivalent Nb(1)Ru12 cuboctahedra; and faces with sixteen Ru(1,1)Nb4Ru8 cuboctahedra. In the second Ru site, Ru(1) is bonded to four equivalent Nb(1) and eight Ru(1,1) atoms to form distorted RuNb4Ru8 cuboctahedra that share corners with four equivalent Nb(1)Ru12 cuboctahedra; corners with fourteen Ru(1,1)Nb4Ru8 cuboctahedra; edges with six equivalent Nb(1)Ru12 cuboctahedra; edges with twelve Ru(1,1)Nb4Ru8 cuboctahedra; faces with four equivalent Nb(1)Ru12 cuboctahedra; and faces with sixteen Ru(1,1)Nb4Ru8 cuboctahedra. is represented by the CIF file [CIF]
data_NbRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   4.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.308
_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
  Ru  Ru2  1  0.835  0.165  0.750  1.0
  Ru  Ru3  1  0.329  0.165  0.750  1.0
  Ru  Ru4  1  0.835  0.671  0.750  1.0
  Ru  Ru5  1  0.165  0.835  0.250  1.0
  Ru  Ru6  1  0.671  0.835  0.250  1.0
  Ru  Ru7  1  0.165  0.329  0.250  1.0
[/CIF]
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The structure described by Ru3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to twelve Ru(1,1) atoms to form NbRu12 cuboctahedra that share corners with six equivalent Nb(1)Ru12 cuboctahedra; corners with twelve equivalent Ru(1)Nb4Ru8 cuboctahedra; edges with eighteen Ru(1,1)Nb4Ru8 cuboctahedra; faces with eight equivalent Nb(1)Ru12 cuboctahedra; and faces with twelve Ru(1,1)Nb4Ru8 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Nb(1) and eight equivalent Ru(1) atoms to form distorted RuNb4Ru8 cuboctahedra that share corners with four equivalent Nb(1)Ru12 cuboctahedra; corners with fourteen Ru(1,1)Nb4Ru8 cuboctahedra; edges with six equivalent Nb(1)Ru12 cuboctahedra; edges with twelve equivalent Ru(1)Nb4Ru8 cuboctahedra; faces with four equivalent Nb(1)Ru12 cuboctahedra; and faces with sixteen Ru(1,1)Nb4Ru8 cuboctahedra. In the second Ru site, Ru(1) is bonded to four equivalent Nb(1) and eight Ru(1,1) atoms to form distorted RuNb4Ru8 cuboctahedra that share corners with four equivalent Nb(1)Ru12 cuboctahedra; corners with fourteen Ru(1,1)Nb4Ru8 cuboctahedra; edges with six equivalent Nb(1)Ru12 cuboctahedra; edges with twelve Ru(1,1)Nb4Ru8 cuboctahedra; faces with four equivalent Nb(1)Ru12 cuboctahedra; and faces with sixteen Ru(1,1)Nb4Ru8 cuboctahedra. is represented by the CIF file [CIF]
data_NbRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   4.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.308
_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
  Ru  Ru2  1  0.835  0.165  0.750  1.0
  Ru  Ru3  1  0.329  0.165  0.750  1.0
  Ru  Ru4  1  0.835  0.671  0.750  1.0
  Ru  Ru5  1  0.165  0.835  0.250  1.0
  Ru  Ru6  1  0.671  0.835  0.250  1.0
  Ru  Ru7  1  0.165  0.329  0.250  1.0
[/CIF]
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