The material structure described by V3Fe2CuO12 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted water-like geometry to one O(1), one O(11), one O(2), and one O(9) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(6), and one O(9) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(10), one O(11), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(10) atoms. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(2), and one O(5) atom. Cu(1) is bonded in a 3-coordinate geometry to one O(4), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. is represented by the CIF card [CIF]
data_V3Fe2CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.237
_cell_length_b   9.987
_cell_length_c   6.701
_cell_angle_alpha   102.666
_cell_angle_beta   102.246
_cell_angle_gamma   107.142
_symmetry_Int_Tables_number   1
_cell_volume   490.833
_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
  V  V0  1  0.765  0.229  0.168  1.0
  V  V1  1  0.379  0.410  0.225  1.0
  V  V2  1  0.167  0.880  0.398  1.0
  V  V3  1  0.833  0.120  0.602  1.0
  V  V4  1  0.621  0.590  0.775  1.0
  V  V5  1  0.235  0.771  0.832  1.0
  Fe  Fe6  1  0.485  0.952  0.295  1.0
  Fe  Fe7  1  0.894  0.623  0.562  1.0
  Fe  Fe8  1  0.106  0.377  0.438  1.0
  Fe  Fe9  1  0.515  0.048  0.705  1.0
  Cu  Cu10  1  0.734  0.749  0.236  1.0
  Cu  Cu11  1  0.266  0.251  0.764  1.0
  O  O12  1  0.326  0.821  0.052  1.0
  O  O13  1  0.941  0.228  0.205  1.0
  O  O14  1  0.676  1.000  0.231  1.0
  O  O15  1  0.281  0.322  0.997  1.0
  O  O16  1  0.767  0.494  0.283  1.0
  O  O17  1  0.507  0.661  0.279  1.0
  O  O18  1  0.077  0.841  0.190  1.0
  O  O19  1  0.848  0.868  0.482  1.0
  O  O20  1  0.476  0.235  0.282  1.0
  O  O21  1  0.358  0.920  0.439  1.0
  O  O22  1  0.921  0.336  0.531  1.0
  O  O23  1  0.256  0.425  0.338  1.0
  O  O24  1  0.744  0.575  0.662  1.0
  O  O25  1  0.079  0.664  0.469  1.0
  O  O26  1  0.642  0.080  0.561  1.0
  O  O27  1  0.524  0.765  0.718  1.0
  O  O28  1  0.152  0.132  0.518  1.0
  O  O29  1  0.923  0.159  0.810  1.0
  O  O30  1  0.493  0.339  0.721  1.0
  O  O31  1  0.233  0.506  0.717  1.0
  O  O32  1  0.719  0.678  0.003  1.0
  O  O33  1  0.324  0.000  0.769  1.0
  O  O34  1  0.059  0.772  0.795  1.0
  O  O35  1  0.674  0.179  0.948  1.0
[/CIF]
.
The material structure described by V3Fe2CuO12 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted water-like geometry to one O(1), one O(11), one O(2), and one O(9) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(6), and one O(9) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(10), one O(11), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(10) atoms. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(2), and one O(5) atom. Cu(1) is bonded in a 3-coordinate geometry to one O(4), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. is represented by the CIF card [CIF]
data_V3Fe2CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.237
_cell_length_b   9.987
_cell_length_c   6.701
_cell_angle_alpha   102.666
_cell_angle_beta   102.246
_cell_angle_gamma   107.142
_symmetry_Int_Tables_number   1
_cell_volume   490.833
_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
  V  V0  1  0.765  0.229  0.168  1.0
  V  V1  1  0.379  0.410  0.225  1.0
  V  V2  1  0.167  0.880  0.398  1.0
  V  V3  1  0.833  0.120  0.602  1.0
  V  V4  1  0.621  0.590  0.775  1.0
  V  V5  1  0.235  0.771  0.832  1.0
  Fe  Fe6  1  0.485  0.952  0.295  1.0
  Fe  Fe7  1  0.894  0.623  0.562  1.0
  Fe  Fe8  1  0.106  0.377  0.438  1.0
  Fe  Fe9  1  0.515  0.048  0.705  1.0
  Cu  Cu10  1  0.734  0.749  0.236  1.0
  Cu  Cu11  1  0.266  0.251  0.764  1.0
  O  O12  1  0.326  0.821  0.052  1.0
  O  O13  1  0.941  0.228  0.205  1.0
  O  O14  1  0.676  1.000  0.231  1.0
  O  O15  1  0.281  0.322  0.997  1.0
  O  O16  1  0.767  0.494  0.283  1.0
  O  O17  1  0.507  0.661  0.279  1.0
  O  O18  1  0.077  0.841  0.190  1.0
  O  O19  1  0.848  0.868  0.482  1.0
  O  O20  1  0.476  0.235  0.282  1.0
  O  O21  1  0.358  0.920  0.439  1.0
  O  O22  1  0.921  0.336  0.531  1.0
  O  O23  1  0.256  0.425  0.338  1.0
  O  O24  1  0.744  0.575  0.662  1.0
  O  O25  1  0.079  0.664  0.469  1.0
  O  O26  1  0.642  0.080  0.561  1.0
  O  O27  1  0.524  0.765  0.718  1.0
  O  O28  1  0.152  0.132  0.518  1.0
  O  O29  1  0.923  0.159  0.810  1.0
  O  O30  1  0.493  0.339  0.721  1.0
  O  O31  1  0.233  0.506  0.717  1.0
  O  O32  1  0.719  0.678  0.003  1.0
  O  O33  1  0.324  0.000  0.769  1.0
  O  O34  1  0.059  0.772  0.795  1.0
  O  O35  1  0.674  0.179  0.948  1.0
[/CIF]
.