The compound described by VFe3(CuO2)4 crystallizes in the trigonal R-3m space group. V(1) is bonded to six equivalent O(1) atoms to form edge-sharing VO6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to six 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 one O(1) and one O(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to three equivalent V(1) and one Cu(1) atom to form distorted OV3Cu tetrahedra that share  a cornercorner with one O(4)Fe3Cu tetrahedra; corners with nine O(1,1)V3Cu tetrahedra; and edges with three equivalent O(1)V3Cu tetrahedra. In the second O site, O(3) is bonded to three equivalent Fe(2) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OFe3Cu tetrahedra. In the third O site, O(1) is bonded to three equivalent V(1) and one Cu(1) atom to form distorted OV3Cu tetrahedra that share  a cornercorner with one O(4)Fe3Cu tetrahedra, corners with nine equivalent O(1)V3Cu tetrahedra, and edges with three equivalent O(1)V3Cu tetrahedra. In the fourth O site, O(2) is bonded to three equivalent Fe(1) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OFe3Cu tetrahedra. In the fifth O site, O(3) is bonded to three equivalent Fe(2) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OFe3Cu tetrahedra. In the sixth O site, O(4) is bonded to three equivalent Fe(1) and one Cu(1) atom to form distorted OFe3Cu tetrahedra that share  a cornercorner with one O(1)V3Cu tetrahedra, corners with three equivalent O(2)Fe3Cu tetrahedra, corners with six equivalent O(4)Fe3Cu tetrahedra, and edges with three equivalent O(2)Fe3Cu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFe3(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.073
_cell_length_b   3.073
_cell_length_c   23.162
_cell_angle_alpha   86.197
_cell_angle_beta   86.197
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   188.826
_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  0.625  0.625  0.125  1.0
  Fe  Fe1  1  0.875  0.875  0.375  1.0
  Fe  Fe2  1  0.125  0.125  0.625  1.0
  Fe  Fe3  1  0.375  0.375  0.875  1.0
  Cu  Cu4  1  0.000  0.000  1.000  1.0
  Cu  Cu5  1  0.250  0.250  0.250  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.277  0.277  0.170  1.0
  O  O9  1  0.527  0.527  0.420  1.0
  O  O10  1  0.777  0.777  0.670  1.0
  O  O11  1  0.027  0.027  0.920  1.0
  O  O12  1  0.973  0.973  0.080  1.0
  O  O13  1  0.223  0.223  0.330  1.0
  O  O14  1  0.473  0.473  0.580  1.0
  O  O15  1  0.723  0.723  0.830  1.0
[/CIF]
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The compound described by VFe3(CuO2)4 crystallizes in the trigonal R-3m space group. V(1) is bonded to six equivalent O(1) atoms to form edge-sharing VO6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to six 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 one O(1) and one O(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to three equivalent V(1) and one Cu(1) atom to form distorted OV3Cu tetrahedra that share  a cornercorner with one O(4)Fe3Cu tetrahedra; corners with nine O(1,1)V3Cu tetrahedra; and edges with three equivalent O(1)V3Cu tetrahedra. In the second O site, O(3) is bonded to three equivalent Fe(2) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OFe3Cu tetrahedra. In the third O site, O(1) is bonded to three equivalent V(1) and one Cu(1) atom to form distorted OV3Cu tetrahedra that share  a cornercorner with one O(4)Fe3Cu tetrahedra, corners with nine equivalent O(1)V3Cu tetrahedra, and edges with three equivalent O(1)V3Cu tetrahedra. In the fourth O site, O(2) is bonded to three equivalent Fe(1) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OFe3Cu tetrahedra. In the fifth O site, O(3) is bonded to three equivalent Fe(2) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OFe3Cu tetrahedra. In the sixth O site, O(4) is bonded to three equivalent Fe(1) and one Cu(1) atom to form distorted OFe3Cu tetrahedra that share  a cornercorner with one O(1)V3Cu tetrahedra, corners with three equivalent O(2)Fe3Cu tetrahedra, corners with six equivalent O(4)Fe3Cu tetrahedra, and edges with three equivalent O(2)Fe3Cu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFe3(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.073
_cell_length_b   3.073
_cell_length_c   23.162
_cell_angle_alpha   86.197
_cell_angle_beta   86.197
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   188.826
_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  0.625  0.625  0.125  1.0
  Fe  Fe1  1  0.875  0.875  0.375  1.0
  Fe  Fe2  1  0.125  0.125  0.625  1.0
  Fe  Fe3  1  0.375  0.375  0.875  1.0
  Cu  Cu4  1  0.000  0.000  1.000  1.0
  Cu  Cu5  1  0.250  0.250  0.250  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.277  0.277  0.170  1.0
  O  O9  1  0.527  0.527  0.420  1.0
  O  O10  1  0.777  0.777  0.670  1.0
  O  O11  1  0.027  0.027  0.920  1.0
  O  O12  1  0.973  0.973  0.080  1.0
  O  O13  1  0.223  0.223  0.330  1.0
  O  O14  1  0.473  0.473  0.580  1.0
  O  O15  1  0.723  0.723  0.830  1.0
[/CIF]
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