The structure described by Ru3Nb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Nb(1) is bonded to six equivalent Nb(1) and six equivalent Ru(2) atoms to form NbNb6Ru6 cuboctahedra that share corners with six equivalent Nb(1)Nb6Ru6 cuboctahedra, corners with twelve equivalent Ru(1)Ru12 cuboctahedra, edges with six equivalent Nb(1)Nb6Ru6 cuboctahedra, edges with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra, faces with two equivalent Ru(1)Ru12 cuboctahedra, faces with six equivalent Nb(1)Nb6Ru6 cuboctahedra, and faces with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form RuRu12 cuboctahedra that share corners with six equivalent Ru(1)Ru12 cuboctahedra, corners with twelve equivalent Nb(1)Nb6Ru6 cuboctahedra, edges with six equivalent Ru(1)Ru12 cuboctahedra, edges with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra, faces with two equivalent Nb(1)Nb6Ru6 cuboctahedra, faces with six equivalent Ru(1)Ru12 cuboctahedra, and faces with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra. In the second Ru site, Ru(2) is bonded to three equivalent Nb(1), three equivalent Ru(1), and six equivalent Ru(2) atoms to form distorted RuNb3Ru9 cuboctahedra that share corners with eighteen equivalent Ru(2)Nb3Ru9 cuboctahedra, edges with six equivalent Nb(1)Nb6Ru6 cuboctahedra, edges with six equivalent Ru(2)Nb3Ru9 cuboctahedra, edges with six equivalent Ru(1)Ru12 cuboctahedra, faces with six equivalent Nb(1)Nb6Ru6 cuboctahedra, faces with six equivalent Ru(1)Ru12 cuboctahedra, and faces with eight equivalent Ru(2)Nb3Ru9 cuboctahedra. is represented by the CIF card [CIF]
data_NbRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.775
_cell_length_b   2.775
_cell_length_c   9.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   60.112
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Ru  Ru1  1  0.000  0.000  0.000  1.0
  Ru  Ru2  1  0.333  0.667  0.765  1.0
  Ru  Ru3  1  0.333  0.667  0.235  1.0
[/CIF]
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The structure described by Ru3Nb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Nb(1) is bonded to six equivalent Nb(1) and six equivalent Ru(2) atoms to form NbNb6Ru6 cuboctahedra that share corners with six equivalent Nb(1)Nb6Ru6 cuboctahedra, corners with twelve equivalent Ru(1)Ru12 cuboctahedra, edges with six equivalent Nb(1)Nb6Ru6 cuboctahedra, edges with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra, faces with two equivalent Ru(1)Ru12 cuboctahedra, faces with six equivalent Nb(1)Nb6Ru6 cuboctahedra, and faces with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form RuRu12 cuboctahedra that share corners with six equivalent Ru(1)Ru12 cuboctahedra, corners with twelve equivalent Nb(1)Nb6Ru6 cuboctahedra, edges with six equivalent Ru(1)Ru12 cuboctahedra, edges with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra, faces with two equivalent Nb(1)Nb6Ru6 cuboctahedra, faces with six equivalent Ru(1)Ru12 cuboctahedra, and faces with twelve equivalent Ru(2)Nb3Ru9 cuboctahedra. In the second Ru site, Ru(2) is bonded to three equivalent Nb(1), three equivalent Ru(1), and six equivalent Ru(2) atoms to form distorted RuNb3Ru9 cuboctahedra that share corners with eighteen equivalent Ru(2)Nb3Ru9 cuboctahedra, edges with six equivalent Nb(1)Nb6Ru6 cuboctahedra, edges with six equivalent Ru(2)Nb3Ru9 cuboctahedra, edges with six equivalent Ru(1)Ru12 cuboctahedra, faces with six equivalent Nb(1)Nb6Ru6 cuboctahedra, faces with six equivalent Ru(1)Ru12 cuboctahedra, and faces with eight equivalent Ru(2)Nb3Ru9 cuboctahedra. is represented by the CIF card [CIF]
data_NbRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.775
_cell_length_b   2.775
_cell_length_c   9.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   60.112
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Ru  Ru1  1  0.000  0.000  0.000  1.0
  Ru  Ru2  1  0.333  0.667  0.765  1.0
  Ru  Ru3  1  0.333  0.667  0.235  1.0
[/CIF]
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