The material described by NdRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded in a 12-coordinate geometry to three equivalent Ru(1) and nine equivalent Ru(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent Nd(1) and six equivalent Ru(2) atoms to form a mixture of corner, edge, and face-sharing RuNd6Ru6 cuboctahedra. In the second Ru site, Ru(2) is bonded to six equivalent Nd(1), two equivalent Ru(1), and four equivalent Ru(2) atoms to form a mixture of corner, edge, and face-sharing RuNd6Ru6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.294
_cell_length_b   5.294
_cell_length_c   9.131
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.587
_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
  Nd  Nd0  1  0.667  0.333  0.568  1.0
  Nd  Nd1  1  0.333  0.667  0.432  1.0
  Nd  Nd2  1  0.333  0.667  0.067  1.0
  Nd  Nd3  1  0.667  0.333  0.933  1.0
  Ru  Ru4  1  0.000  1.000  0.500  1.0
  Ru  Ru5  1  0.000  1.000  0.000  1.0
  Ru  Ru6  1  0.169  0.338  0.750  1.0
  Ru  Ru7  1  0.169  0.831  0.750  1.0
  Ru  Ru8  1  0.662  0.831  0.750  1.0
  Ru  Ru9  1  0.831  0.662  0.250  1.0
  Ru  Ru10  1  0.831  0.169  0.250  1.0
  Ru  Ru11  1  0.338  0.169  0.250  1.0
[/CIF]
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The material described by NdRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded in a 12-coordinate geometry to three equivalent Ru(1) and nine equivalent Ru(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent Nd(1) and six equivalent Ru(2) atoms to form a mixture of corner, edge, and face-sharing RuNd6Ru6 cuboctahedra. In the second Ru site, Ru(2) is bonded to six equivalent Nd(1), two equivalent Ru(1), and four equivalent Ru(2) atoms to form a mixture of corner, edge, and face-sharing RuNd6Ru6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.294
_cell_length_b   5.294
_cell_length_c   9.131
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.587
_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
  Nd  Nd0  1  0.667  0.333  0.568  1.0
  Nd  Nd1  1  0.333  0.667  0.432  1.0
  Nd  Nd2  1  0.333  0.667  0.067  1.0
  Nd  Nd3  1  0.667  0.333  0.933  1.0
  Ru  Ru4  1  0.000  1.000  0.500  1.0
  Ru  Ru5  1  0.000  1.000  0.000  1.0
  Ru  Ru6  1  0.169  0.338  0.750  1.0
  Ru  Ru7  1  0.169  0.831  0.750  1.0
  Ru  Ru8  1  0.662  0.831  0.750  1.0
  Ru  Ru9  1  0.831  0.662  0.250  1.0
  Ru  Ru10  1  0.831  0.169  0.250  1.0
  Ru  Ru11  1  0.338  0.169  0.250  1.0
[/CIF]
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