The structure described by VFe2(CuO2)3 crystallizes in the trigonal P-3m1 space group. V(1) is bonded to six equivalent O(2) atoms to form edge-sharing VO6 octahedra. Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form edge-sharing FeO6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and one Cu(2) atom to form distorted OFe3Cu tetrahedra that share corners with six equivalent O(1)Fe3Cu tetrahedra,  a cornercorner with one O(2)V3Cu trigonal pyramid, corners with three equivalent O(3)Fe3Cu trigonal pyramids, and edges with three equivalent O(3)Fe3Cu trigonal pyramids. In the second O site, O(2) is bonded to three equivalent V(1) and one Cu(2) atom to form distorted OV3Cu trigonal pyramids that share  a cornercorner with one O(1)Fe3Cu tetrahedra, corners with nine equivalent O(2)V3Cu trigonal pyramids, and edges with three equivalent O(2)V3Cu trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Fe(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFe2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.063
_cell_length_b   3.063
_cell_length_c   17.324
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   140.723
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.667  0.333  0.333  1.0
  Fe  Fe2  1  0.333  0.667  0.667  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.667  0.333  0.833  1.0
  Cu  Cu5  1  0.333  0.667  0.167  1.0
  O  O6  1  0.667  0.333  0.727  1.0
  O  O7  1  0.333  0.667  0.060  1.0
  O  O8  1  0.000  0.000  0.393  1.0
  O  O9  1  0.000  0.000  0.607  1.0
  O  O10  1  0.667  0.333  0.940  1.0
  O  O11  1  0.333  0.667  0.273  1.0
[/CIF]
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The structure described by VFe2(CuO2)3 crystallizes in the trigonal P-3m1 space group. V(1) is bonded to six equivalent O(2) atoms to form edge-sharing VO6 octahedra. Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form edge-sharing FeO6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and one Cu(2) atom to form distorted OFe3Cu tetrahedra that share corners with six equivalent O(1)Fe3Cu tetrahedra,  a cornercorner with one O(2)V3Cu trigonal pyramid, corners with three equivalent O(3)Fe3Cu trigonal pyramids, and edges with three equivalent O(3)Fe3Cu trigonal pyramids. In the second O site, O(2) is bonded to three equivalent V(1) and one Cu(2) atom to form distorted OV3Cu trigonal pyramids that share  a cornercorner with one O(1)Fe3Cu tetrahedra, corners with nine equivalent O(2)V3Cu trigonal pyramids, and edges with three equivalent O(2)V3Cu trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Fe(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFe2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.063
_cell_length_b   3.063
_cell_length_c   17.324
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   140.723
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.667  0.333  0.333  1.0
  Fe  Fe2  1  0.333  0.667  0.667  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.667  0.333  0.833  1.0
  Cu  Cu5  1  0.333  0.667  0.167  1.0
  O  O6  1  0.667  0.333  0.727  1.0
  O  O7  1  0.333  0.667  0.060  1.0
  O  O8  1  0.000  0.000  0.393  1.0
  O  O9  1  0.000  0.000  0.607  1.0
  O  O10  1  0.667  0.333  0.940  1.0
  O  O11  1  0.333  0.667  0.273  1.0
[/CIF]
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