The material described by V2Fe(CuO2)3 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with four equivalent V(1)O6 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 two equivalent V(1), one Fe(1), and one Cu(2) atom to form distorted OV2FeCu trigonal pyramids that share corners with three equivalent O(2)VFe2Cu tetrahedra, corners with four equivalent O(3)V3Cu tetrahedra, corners with three equivalent O(1)V2FeCu trigonal pyramids,  an edgeedge with one O(3)V3Cu tetrahedra, and edges with two equivalent O(2)VFe2Cu tetrahedra. In the second O site, O(2) is bonded to one V(1), two equivalent Fe(1), and one Cu(2) atom to form distorted OVFe2Cu tetrahedra that share corners with three equivalent O(3)V3Cu tetrahedra, corners with four equivalent O(2)VFe2Cu tetrahedra, corners with three equivalent O(1)V2FeCu trigonal pyramids,  an edgeedge with one O(2)VFe2Cu tetrahedra, and edges with two equivalent O(1)V2FeCu trigonal pyramids. In the third O site, O(3) is bonded to three equivalent V(1) and one Cu(1) atom to form distorted OV3Cu tetrahedra that share corners with three equivalent O(3)V3Cu tetrahedra, corners with three equivalent O(2)VFe2Cu tetrahedra, corners with four equivalent O(1)V2FeCu trigonal pyramids, edges with two equivalent O(3)V3Cu tetrahedra, and  an edgeedge with one O(1)V2FeCu trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Fe(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   9.094
_cell_angle_alpha   60.807
_cell_angle_beta   60.807
_cell_angle_gamma   28.984
_symmetry_Int_Tables_number   1
_cell_volume   137.762
_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  0.336  0.336  0.829  1.0
  V  V1  1  0.664  0.664  0.171  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.333  0.333  0.337  1.0
  Cu  Cu5  1  0.667  0.667  0.663  1.0
  O  O6  1  0.188  0.188  0.304  1.0
  O  O7  1  0.526  0.526  0.624  1.0
  O  O8  1  0.858  0.858  0.964  1.0
  O  O9  1  0.812  0.812  0.696  1.0
  O  O10  1  0.142  0.142  0.036  1.0
  O  O11  1  0.474  0.474  0.376  1.0
[/CIF]
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The material described by V2Fe(CuO2)3 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with four equivalent V(1)O6 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 two equivalent V(1), one Fe(1), and one Cu(2) atom to form distorted OV2FeCu trigonal pyramids that share corners with three equivalent O(2)VFe2Cu tetrahedra, corners with four equivalent O(3)V3Cu tetrahedra, corners with three equivalent O(1)V2FeCu trigonal pyramids,  an edgeedge with one O(3)V3Cu tetrahedra, and edges with two equivalent O(2)VFe2Cu tetrahedra. In the second O site, O(2) is bonded to one V(1), two equivalent Fe(1), and one Cu(2) atom to form distorted OVFe2Cu tetrahedra that share corners with three equivalent O(3)V3Cu tetrahedra, corners with four equivalent O(2)VFe2Cu tetrahedra, corners with three equivalent O(1)V2FeCu trigonal pyramids,  an edgeedge with one O(2)VFe2Cu tetrahedra, and edges with two equivalent O(1)V2FeCu trigonal pyramids. In the third O site, O(3) is bonded to three equivalent V(1) and one Cu(1) atom to form distorted OV3Cu tetrahedra that share corners with three equivalent O(3)V3Cu tetrahedra, corners with three equivalent O(2)VFe2Cu tetrahedra, corners with four equivalent O(1)V2FeCu trigonal pyramids, edges with two equivalent O(3)V3Cu tetrahedra, and  an edgeedge with one O(1)V2FeCu trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Fe(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   9.094
_cell_angle_alpha   60.807
_cell_angle_beta   60.807
_cell_angle_gamma   28.984
_symmetry_Int_Tables_number   1
_cell_volume   137.762
_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  0.336  0.336  0.829  1.0
  V  V1  1  0.664  0.664  0.171  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.333  0.333  0.337  1.0
  Cu  Cu5  1  0.667  0.667  0.663  1.0
  O  O6  1  0.188  0.188  0.304  1.0
  O  O7  1  0.526  0.526  0.624  1.0
  O  O8  1  0.858  0.858  0.964  1.0
  O  O9  1  0.812  0.812  0.696  1.0
  O  O10  1  0.142  0.142  0.036  1.0
  O  O11  1  0.474  0.474  0.376  1.0
[/CIF]
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