The material described by LuRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded in a 12-coordinate geometry to three equivalent Ru(2) and nine equivalent Ru(1) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(2) is bonded to six equivalent Lu(1) and six equivalent Ru(1) atoms to form a mixture of edge, face, and corner-sharing RuLu6Ru6 cuboctahedra. In the second Ru site, Ru(1) is bonded to six equivalent Lu(1), two equivalent Ru(2), and four equivalent Ru(1) atoms to form a mixture of edge, face, and corner-sharing RuLu6Ru6 cuboctahedra. is represented by the CIF card [CIF]
data_LuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   8.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   203.834
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.333  0.667  0.433  1.0
  Lu  Lu1  1  0.667  0.333  0.567  1.0
  Lu  Lu2  1  0.667  0.333  0.933  1.0
  Lu  Lu3  1  0.333  0.667  0.067  1.0
  Ru  Ru4  1  0.172  0.343  0.750  1.0
  Ru  Ru5  1  0.172  0.828  0.750  1.0
  Ru  Ru6  1  0.343  0.172  0.250  1.0
  Ru  Ru7  1  0.828  0.657  0.250  1.0
  Ru  Ru8  1  0.657  0.828  0.750  1.0
  Ru  Ru9  1  0.000  0.000  0.000  1.0
  Ru  Ru10  1  0.828  0.172  0.250  1.0
  Ru  Ru11  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material described by LuRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded in a 12-coordinate geometry to three equivalent Ru(2) and nine equivalent Ru(1) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(2) is bonded to six equivalent Lu(1) and six equivalent Ru(1) atoms to form a mixture of edge, face, and corner-sharing RuLu6Ru6 cuboctahedra. In the second Ru site, Ru(1) is bonded to six equivalent Lu(1), two equivalent Ru(2), and four equivalent Ru(1) atoms to form a mixture of edge, face, and corner-sharing RuLu6Ru6 cuboctahedra. is represented by the CIF card [CIF]
data_LuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   8.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   203.834
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.333  0.667  0.433  1.0
  Lu  Lu1  1  0.667  0.333  0.567  1.0
  Lu  Lu2  1  0.667  0.333  0.933  1.0
  Lu  Lu3  1  0.333  0.667  0.067  1.0
  Ru  Ru4  1  0.172  0.343  0.750  1.0
  Ru  Ru5  1  0.172  0.828  0.750  1.0
  Ru  Ru6  1  0.343  0.172  0.250  1.0
  Ru  Ru7  1  0.828  0.657  0.250  1.0
  Ru  Ru8  1  0.657  0.828  0.750  1.0
  Ru  Ru9  1  0.000  0.000  0.000  1.0
  Ru  Ru10  1  0.828  0.172  0.250  1.0
  Ru  Ru11  1  0.000  0.000  0.500  1.0
[/CIF]
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