The compound described by FeCu4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. Fe(1) is bonded to six equivalent Fe(1) and six equivalent Cu(1) atoms to form FeFe6Cu6 cuboctahedra that share corners with six equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with six Cu(2,2)Cu12 cuboctahedra; edges with six equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with six Cu(2,2)Cu12 cuboctahedra; edges with twelve equivalent Cu(1)Fe3Cu9 cuboctahedra; faces with six equivalent Fe(1)Fe6Cu6 cuboctahedra; and faces with twelve equivalent Cu(1)Fe3Cu9 cuboctahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Fe(1), three equivalent Cu(2), and six equivalent Cu(1) atoms to form CuFe3Cu9 cuboctahedra that share corners with three equivalent Cu(2)Cu12 cuboctahedra; corners with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with six equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine Cu(2,2)Cu12 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; faces with six equivalent Fe(1)Fe6Cu6 cuboctahedra; faces with six equivalent Cu(2)Cu12 cuboctahedra; and faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the third Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the fifth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the sixth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. is represented by the CIF card [CIF]
data_FeCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.593
_cell_length_b   10.593
_cell_length_c   10.593
_cell_angle_alpha   13.829
_cell_angle_beta   13.829
_cell_angle_gamma   13.829
_symmetry_Int_Tables_number   1
_cell_volume   59.095
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.600  0.600  0.600  1.0
  Cu  Cu2  1  0.200  0.200  0.200  1.0
  Cu  Cu3  1  0.800  0.800  0.800  1.0
  Cu  Cu4  1  0.400  0.400  0.400  1.0
[/CIF]
.
The compound described by FeCu4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. Fe(1) is bonded to six equivalent Fe(1) and six equivalent Cu(1) atoms to form FeFe6Cu6 cuboctahedra that share corners with six equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with six Cu(2,2)Cu12 cuboctahedra; edges with six equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with six Cu(2,2)Cu12 cuboctahedra; edges with twelve equivalent Cu(1)Fe3Cu9 cuboctahedra; faces with six equivalent Fe(1)Fe6Cu6 cuboctahedra; and faces with twelve equivalent Cu(1)Fe3Cu9 cuboctahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Fe(1), three equivalent Cu(2), and six equivalent Cu(1) atoms to form CuFe3Cu9 cuboctahedra that share corners with three equivalent Cu(2)Cu12 cuboctahedra; corners with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with six equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine Cu(2,2)Cu12 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; faces with six equivalent Fe(1)Fe6Cu6 cuboctahedra; faces with six equivalent Cu(2)Cu12 cuboctahedra; and faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the third Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the fifth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the sixth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Fe(1)Fe6Cu6 cuboctahedra; corners with three equivalent Cu(1)Fe3Cu9 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Fe(1)Fe6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Fe3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Fe3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. is represented by the CIF card [CIF]
data_FeCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.593
_cell_length_b   10.593
_cell_length_c   10.593
_cell_angle_alpha   13.829
_cell_angle_beta   13.829
_cell_angle_gamma   13.829
_symmetry_Int_Tables_number   1
_cell_volume   59.095
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.600  0.600  0.600  1.0
  Cu  Cu2  1  0.200  0.200  0.200  1.0
  Cu  Cu3  1  0.800  0.800  0.800  1.0
  Cu  Cu4  1  0.400  0.400  0.400  1.0
[/CIF]
.