The material structure described by V4(CuO4)3 crystallizes in the cubic Im-3 space group. V(1) is bonded to six equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 38°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_V4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.309
_cell_length_c   6.309
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   193.328
_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  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.000  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.814  0.307  0.121  1.0
  O  O8  1  0.693  0.507  0.814  1.0
  O  O9  1  0.493  0.186  0.307  1.0
  O  O10  1  0.693  0.879  0.186  1.0
  O  O11  1  0.507  0.814  0.693  1.0
  O  O12  1  0.307  0.493  0.186  1.0
  O  O13  1  0.879  0.186  0.693  1.0
  O  O14  1  0.121  0.814  0.307  1.0
  O  O15  1  0.307  0.121  0.814  1.0
  O  O16  1  0.814  0.693  0.507  1.0
  O  O17  1  0.186  0.307  0.493  1.0
  O  O18  1  0.186  0.693  0.879  1.0
[/CIF]
.
The material structure described by V4(CuO4)3 crystallizes in the cubic Im-3 space group. V(1) is bonded to six equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 38°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_V4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.309
_cell_length_c   6.309
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   193.328
_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  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.000  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.814  0.307  0.121  1.0
  O  O8  1  0.693  0.507  0.814  1.0
  O  O9  1  0.493  0.186  0.307  1.0
  O  O10  1  0.693  0.879  0.186  1.0
  O  O11  1  0.507  0.814  0.693  1.0
  O  O12  1  0.307  0.493  0.186  1.0
  O  O13  1  0.879  0.186  0.693  1.0
  O  O14  1  0.121  0.814  0.307  1.0
  O  O15  1  0.307  0.121  0.814  1.0
  O  O16  1  0.814  0.693  0.507  1.0
  O  O17  1  0.186  0.307  0.493  1.0
  O  O18  1  0.186  0.693  0.879  1.0
[/CIF]
.