The crystal structure described by YFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Y(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 Y(1), two equivalent Fe(1), and four equivalent Cu(1) atoms to form FeY6Fe2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, corners with ten equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, edges with six equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, faces with six equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Y6Fe4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Y(1), four equivalent Fe(1), and two equivalent Cu(1) atoms to form CuY6Fe4Cu2 cuboctahedra that share corners with eight equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, edges with six equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, faces with six equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, and faces with twelve equivalent Fe(1)Y6Fe2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_YFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.223
_cell_length_b   5.223
_cell_length_c   5.223
_cell_angle_alpha   122.006
_cell_angle_beta   120.556
_cell_angle_gamma   87.800
_symmetry_Int_Tables_number   1
_cell_volume   98.728
_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
  Y  Y0  1  0.371  0.121  0.250  1.0
  Y  Y1  1  0.629  0.879  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
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by YFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Y(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 Y(1), two equivalent Fe(1), and four equivalent Cu(1) atoms to form FeY6Fe2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, corners with ten equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, edges with six equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, faces with six equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Y6Fe4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Y(1), four equivalent Fe(1), and two equivalent Cu(1) atoms to form CuY6Fe4Cu2 cuboctahedra that share corners with eight equivalent Fe(1)Y6Fe2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, edges with six equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, faces with six equivalent Cu(1)Y6Fe4Cu2 cuboctahedra, and faces with twelve equivalent Fe(1)Y6Fe2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_YFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.223
_cell_length_b   5.223
_cell_length_c   5.223
_cell_angle_alpha   122.006
_cell_angle_beta   120.556
_cell_angle_gamma   87.800
_symmetry_Int_Tables_number   1
_cell_volume   98.728
_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
  Y  Y0  1  0.371  0.121  0.250  1.0
  Y  Y1  1  0.629  0.879  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
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
[/CIF]
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