The crystal structure described by ErFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Er(1) is bonded in a 12-coordinate geometry to six equivalent Fe(1) and six equivalent Cu(1) atoms. Fe(1) is bonded to six equivalent Er(1), two equivalent Fe(1), and four equivalent Cu(1) atoms to form FeEr6Fe2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, corners with ten equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, edges with six equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, faces with six equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Er6Fe4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Er(1), four equivalent Fe(1), and two equivalent Cu(1) atoms to form CuEr6Fe4Cu2 cuboctahedra that share corners with eight equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, edges with six equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, faces with six equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Fe2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_ErFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.181
_cell_length_c   5.181
_cell_angle_alpha   92.792
_cell_angle_beta   58.629
_cell_angle_gamma   121.879
_symmetry_Int_Tables_number   1
_cell_volume   95.818
_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  0.500  0.752  0.748  1.0
  Er  Er1  1  0.000  0.998  0.002  1.0
  Fe  Fe2  1  0.250  0.875  0.375  1.0
  Fe  Fe3  1  0.750  0.375  0.375  1.0
  Cu  Cu4  1  0.750  0.375  0.875  1.0
  Cu  Cu5  1  0.250  0.375  0.375  1.0
[/CIF]
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The crystal structure described by ErFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Er(1) is bonded in a 12-coordinate geometry to six equivalent Fe(1) and six equivalent Cu(1) atoms. Fe(1) is bonded to six equivalent Er(1), two equivalent Fe(1), and four equivalent Cu(1) atoms to form FeEr6Fe2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, corners with ten equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, edges with six equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, faces with six equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Er6Fe4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Er(1), four equivalent Fe(1), and two equivalent Cu(1) atoms to form CuEr6Fe4Cu2 cuboctahedra that share corners with eight equivalent Fe(1)Er6Fe2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, edges with six equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, faces with six equivalent Cu(1)Er6Fe4Cu2 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Fe2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_ErFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.181
_cell_length_c   5.181
_cell_angle_alpha   92.792
_cell_angle_beta   58.629
_cell_angle_gamma   121.879
_symmetry_Int_Tables_number   1
_cell_volume   95.818
_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  0.500  0.752  0.748  1.0
  Er  Er1  1  0.000  0.998  0.002  1.0
  Fe  Fe2  1  0.250  0.875  0.375  1.0
  Fe  Fe3  1  0.750  0.375  0.375  1.0
  Cu  Cu4  1  0.750  0.375  0.875  1.0
  Cu  Cu5  1  0.250  0.375  0.375  1.0
[/CIF]
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