The compound described by NdRuFe crystallizes in the orthorhombic Imma space group. Nd(1) is bonded in a 12-coordinate geometry to six equivalent Ru(1) and six equivalent Fe(1) atoms. Ru(1) is bonded to six equivalent Nd(1), two equivalent Ru(1), and four equivalent Fe(1) atoms to form distorted RuNd6Fe4Ru2 cuboctahedra that share corners with eight equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, corners with ten equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, edges with six equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, faces with six equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, and faces with twelve equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra. Fe(1) is bonded to six equivalent Nd(1), four equivalent Ru(1), and two equivalent Fe(1) atoms to form FeNd6Fe2Ru4 cuboctahedra that share corners with eight equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, corners with ten equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, edges with six equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, faces with six equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, and faces with twelve equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.345
_cell_length_b   5.345
_cell_length_c   5.345
_cell_angle_alpha   88.547
_cell_angle_beta   58.931
_cell_angle_gamma   117.295
_symmetry_Int_Tables_number   1
_cell_volume   109.146
_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
  Nd  Nd0  1  0.500  0.752  0.748  1.0
  Nd  Nd1  1  0.000  0.998  0.002  1.0
  Fe  Fe2  1  0.750  0.375  0.875  1.0
  Fe  Fe3  1  0.250  0.375  0.375  1.0
  Ru  Ru4  1  0.250  0.875  0.375  1.0
  Ru  Ru5  1  0.750  0.375  0.375  1.0
[/CIF]
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The compound described by NdRuFe crystallizes in the orthorhombic Imma space group. Nd(1) is bonded in a 12-coordinate geometry to six equivalent Ru(1) and six equivalent Fe(1) atoms. Ru(1) is bonded to six equivalent Nd(1), two equivalent Ru(1), and four equivalent Fe(1) atoms to form distorted RuNd6Fe4Ru2 cuboctahedra that share corners with eight equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, corners with ten equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, edges with six equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, faces with six equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, and faces with twelve equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra. Fe(1) is bonded to six equivalent Nd(1), four equivalent Ru(1), and two equivalent Fe(1) atoms to form FeNd6Fe2Ru4 cuboctahedra that share corners with eight equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra, corners with ten equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, edges with six equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, faces with six equivalent Fe(1)Nd6Fe2Ru4 cuboctahedra, and faces with twelve equivalent Ru(1)Nd6Fe4Ru2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.345
_cell_length_b   5.345
_cell_length_c   5.345
_cell_angle_alpha   88.547
_cell_angle_beta   58.931
_cell_angle_gamma   117.295
_symmetry_Int_Tables_number   1
_cell_volume   109.146
_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
  Nd  Nd0  1  0.500  0.752  0.748  1.0
  Nd  Nd1  1  0.000  0.998  0.002  1.0
  Fe  Fe2  1  0.750  0.375  0.875  1.0
  Fe  Fe3  1  0.250  0.375  0.375  1.0
  Ru  Ru4  1  0.250  0.875  0.375  1.0
  Ru  Ru5  1  0.750  0.375  0.375  1.0
[/CIF]
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