The compound described by Re3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to eight Re(1,1) and four equivalent Ru(1) atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Re12 cuboctahedra; corners with fourteen Re(1,1)Re8Ru4 cuboctahedra; edges with six equivalent Ru(1)Re12 cuboctahedra; edges with twelve Re(1,1)Re8Ru4 cuboctahedra; faces with four equivalent Ru(1)Re12 cuboctahedra; and faces with sixteen Re(1,1)Re8Ru4 cuboctahedra. In the second Re site, Re(1) is bonded to eight Re(1,1) and four equivalent Ru(1) atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Re12 cuboctahedra; corners with fourteen Re(1,1)Re8Ru4 cuboctahedra; edges with six equivalent Ru(1)Re12 cuboctahedra; edges with twelve Re(1,1)Re8Ru4 cuboctahedra; faces with four equivalent Ru(1)Re12 cuboctahedra; and faces with sixteen Re(1,1)Re8Ru4 cuboctahedra. Ru(1) is bonded to twelve Re(1,1) atoms to form RuRe12 cuboctahedra that share corners with six equivalent Ru(1)Re12 cuboctahedra; corners with twelve Re(1,1)Re8Ru4 cuboctahedra; edges with eighteen Re(1,1)Re8Ru4 cuboctahedra; faces with eight equivalent Ru(1)Re12 cuboctahedra; and faces with twelve Re(1,1)Re8Ru4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.518
_cell_length_c   4.397
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   120.008
_symmetry_Int_Tables_number   1
_cell_volume   115.931
_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
  Re  Re0  1  0.165  0.329  0.250  1.0
  Re  Re1  1  0.671  0.835  0.250  1.0
  Re  Re2  1  0.165  0.835  0.250  1.0
  Re  Re3  1  0.835  0.671  0.750  1.0
  Re  Re4  1  0.329  0.165  0.750  1.0
  Re  Re5  1  0.835  0.165  0.750  1.0
  Ru  Ru6  1  0.333  0.667  0.750  1.0
  Ru  Ru7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Re3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to eight Re(1,1) and four equivalent Ru(1) atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Re12 cuboctahedra; corners with fourteen Re(1,1)Re8Ru4 cuboctahedra; edges with six equivalent Ru(1)Re12 cuboctahedra; edges with twelve Re(1,1)Re8Ru4 cuboctahedra; faces with four equivalent Ru(1)Re12 cuboctahedra; and faces with sixteen Re(1,1)Re8Ru4 cuboctahedra. In the second Re site, Re(1) is bonded to eight Re(1,1) and four equivalent Ru(1) atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Re12 cuboctahedra; corners with fourteen Re(1,1)Re8Ru4 cuboctahedra; edges with six equivalent Ru(1)Re12 cuboctahedra; edges with twelve Re(1,1)Re8Ru4 cuboctahedra; faces with four equivalent Ru(1)Re12 cuboctahedra; and faces with sixteen Re(1,1)Re8Ru4 cuboctahedra. Ru(1) is bonded to twelve Re(1,1) atoms to form RuRe12 cuboctahedra that share corners with six equivalent Ru(1)Re12 cuboctahedra; corners with twelve Re(1,1)Re8Ru4 cuboctahedra; edges with eighteen Re(1,1)Re8Ru4 cuboctahedra; faces with eight equivalent Ru(1)Re12 cuboctahedra; and faces with twelve Re(1,1)Re8Ru4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.518
_cell_length_c   4.397
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   120.008
_symmetry_Int_Tables_number   1
_cell_volume   115.931
_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
  Re  Re0  1  0.165  0.329  0.250  1.0
  Re  Re1  1  0.671  0.835  0.250  1.0
  Re  Re2  1  0.165  0.835  0.250  1.0
  Re  Re3  1  0.835  0.671  0.750  1.0
  Re  Re4  1  0.329  0.165  0.750  1.0
  Re  Re5  1  0.835  0.165  0.750  1.0
  Ru  Ru6  1  0.333  0.667  0.750  1.0
  Ru  Ru7  1  0.667  0.333  0.250  1.0
[/CIF]
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