The structure described by Cu4O3 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. is represented by the CIF file [CIF]
data_Cu4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.791
_cell_length_c   6.422
_cell_angle_alpha   116.805
_cell_angle_beta   116.805
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   165.850
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.625  0.375  0.250  1.0
  O  O9  1  0.375  0.625  0.750  1.0
  O  O10  1  0.637  0.887  0.273  1.0
  O  O11  1  0.887  0.637  0.773  1.0
  O  O12  1  0.363  0.113  0.727  1.0
  O  O13  1  0.113  0.363  0.227  1.0
[/CIF]
.
The structure described by Cu4O3 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. is represented by the CIF file [CIF]
data_Cu4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.791
_cell_length_c   6.422
_cell_angle_alpha   116.805
_cell_angle_beta   116.805
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   165.850
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.625  0.375  0.250  1.0
  O  O9  1  0.375  0.625  0.750  1.0
  O  O10  1  0.637  0.887  0.273  1.0
  O  O11  1  0.887  0.637  0.773  1.0
  O  O12  1  0.363  0.113  0.727  1.0
  O  O13  1  0.113  0.363  0.227  1.0
[/CIF]
.