The material described by ErRuFe crystallizes in the orthorhombic Imma space group. Er(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 Er(1), two equivalent Ru(1), and four equivalent Fe(1) atoms to form distorted RuEr6Fe4Ru2 cuboctahedra that share corners with eight equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, corners with ten equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, edges with six equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, faces with six equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Fe2Ru4 cuboctahedra. Fe(1) is bonded to six equivalent Er(1), four equivalent Ru(1), and two equivalent Fe(1) atoms to form FeEr6Fe2Ru4 cuboctahedra that share corners with eight equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, corners with ten equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, edges with six equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, faces with six equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, and faces with twelve equivalent Ru(1)Er6Fe4Ru2 cuboctahedra. is represented by the CIF file [CIF]
data_ErFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.217
_cell_length_c   5.217
_cell_angle_alpha   120.908
_cell_angle_beta   118.182
_cell_angle_gamma   90.806
_symmetry_Int_Tables_number   1
_cell_volume   100.992
_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
  Er  Er0  1  0.376  0.126  0.250  1.0
  Er  Er1  1  0.624  0.874  0.750  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  Ru  Ru4  1  0.500  0.500  0.000  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by ErRuFe crystallizes in the orthorhombic Imma space group. Er(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 Er(1), two equivalent Ru(1), and four equivalent Fe(1) atoms to form distorted RuEr6Fe4Ru2 cuboctahedra that share corners with eight equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, corners with ten equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, edges with six equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, faces with six equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Fe2Ru4 cuboctahedra. Fe(1) is bonded to six equivalent Er(1), four equivalent Ru(1), and two equivalent Fe(1) atoms to form FeEr6Fe2Ru4 cuboctahedra that share corners with eight equivalent Ru(1)Er6Fe4Ru2 cuboctahedra, corners with ten equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, edges with six equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, faces with six equivalent Fe(1)Er6Fe2Ru4 cuboctahedra, and faces with twelve equivalent Ru(1)Er6Fe4Ru2 cuboctahedra. is represented by the CIF file [CIF]
data_ErFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.217
_cell_length_c   5.217
_cell_angle_alpha   120.908
_cell_angle_beta   118.182
_cell_angle_gamma   90.806
_symmetry_Int_Tables_number   1
_cell_volume   100.992
_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
  Er  Er0  1  0.376  0.126  0.250  1.0
  Er  Er1  1  0.624  0.874  0.750  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  Ru  Ru4  1  0.500  0.500  0.000  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
[/CIF]
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