The material described by ReRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to twelve equivalent Ru(1) atoms to form ReRu12 cuboctahedra that share corners with six equivalent Re(1)Ru12 cuboctahedra, corners with twelve equivalent Ru(1)Re4Ru8 cuboctahedra, edges with eighteen equivalent Ru(1)Re4Ru8 cuboctahedra, faces with eight equivalent Re(1)Ru12 cuboctahedra, and faces with twelve equivalent Ru(1)Re4Ru8 cuboctahedra. Ru(1) is bonded to four equivalent Re(1) and eight equivalent Ru(1) atoms to form distorted RuRe4Ru8 cuboctahedra that share corners with four equivalent Re(1)Ru12 cuboctahedra, corners with fourteen equivalent Ru(1)Re4Ru8 cuboctahedra, edges with six equivalent Re(1)Ru12 cuboctahedra, edges with twelve equivalent Ru(1)Re4Ru8 cuboctahedra, faces with four equivalent Re(1)Ru12 cuboctahedra, and faces with sixteen equivalent Ru(1)Re4Ru8 cuboctahedra. is represented by the CIF card [CIF]
data_ReRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.450
_cell_length_b   5.450
_cell_length_c   4.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.666
_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  0.333  0.667  0.750  1.0
  Re  Re1  1  0.667  0.333  0.250  1.0
  Ru  Ru2  1  0.168  0.335  0.250  1.0
  Ru  Ru3  1  0.665  0.832  0.250  1.0
  Ru  Ru4  1  0.168  0.832  0.250  1.0
  Ru  Ru5  1  0.832  0.665  0.750  1.0
  Ru  Ru6  1  0.335  0.168  0.750  1.0
  Ru  Ru7  1  0.832  0.168  0.750  1.0
[/CIF]
.
The material described by ReRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to twelve equivalent Ru(1) atoms to form ReRu12 cuboctahedra that share corners with six equivalent Re(1)Ru12 cuboctahedra, corners with twelve equivalent Ru(1)Re4Ru8 cuboctahedra, edges with eighteen equivalent Ru(1)Re4Ru8 cuboctahedra, faces with eight equivalent Re(1)Ru12 cuboctahedra, and faces with twelve equivalent Ru(1)Re4Ru8 cuboctahedra. Ru(1) is bonded to four equivalent Re(1) and eight equivalent Ru(1) atoms to form distorted RuRe4Ru8 cuboctahedra that share corners with four equivalent Re(1)Ru12 cuboctahedra, corners with fourteen equivalent Ru(1)Re4Ru8 cuboctahedra, edges with six equivalent Re(1)Ru12 cuboctahedra, edges with twelve equivalent Ru(1)Re4Ru8 cuboctahedra, faces with four equivalent Re(1)Ru12 cuboctahedra, and faces with sixteen equivalent Ru(1)Re4Ru8 cuboctahedra. is represented by the CIF card [CIF]
data_ReRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.450
_cell_length_b   5.450
_cell_length_c   4.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.666
_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  0.333  0.667  0.750  1.0
  Re  Re1  1  0.667  0.333  0.250  1.0
  Ru  Ru2  1  0.168  0.335  0.250  1.0
  Ru  Ru3  1  0.665  0.832  0.250  1.0
  Ru  Ru4  1  0.168  0.832  0.250  1.0
  Ru  Ru5  1  0.832  0.665  0.750  1.0
  Ru  Ru6  1  0.335  0.168  0.750  1.0
  Ru  Ru7  1  0.832  0.168  0.750  1.0
[/CIF]
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