The crystal structure described by Cu5O7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cu(3) atoms. In the second O site, O(1) is bonded to two equivalent Cu(2) and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OCu5 square pyramids. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(3) atoms. In the fourth O site, O(3) is bonded to one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form a mixture of edge and corner-sharing OCu5 square pyramids. is represented by the CIF file [CIF]
data_Cu5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.127
_cell_length_c   17.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.944
_symmetry_Int_Tables_number   1
_cell_volume   256.321
_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  0.733  0.267  0.575  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.267  0.733  0.425  1.0
  Cu  Cu4  1  0.267  0.733  0.075  1.0
  Cu  Cu5  1  0.733  0.267  0.925  1.0
  Cu  Cu6  1  0.532  0.468  0.155  1.0
  Cu  Cu7  1  0.468  0.532  0.845  1.0
  Cu  Cu8  1  0.468  0.532  0.655  1.0
  Cu  Cu9  1  0.532  0.468  0.345  1.0
  O  O10  1  0.359  0.641  0.977  1.0
  O  O11  1  0.641  0.359  0.023  1.0
  O  O12  1  0.641  0.359  0.477  1.0
  O  O13  1  0.359  0.641  0.523  1.0
  O  O14  1  0.842  0.158  0.841  1.0
  O  O15  1  0.158  0.842  0.159  1.0
  O  O16  1  0.158  0.842  0.341  1.0
  O  O17  1  0.842  0.158  0.659  1.0
  O  O18  1  0.083  0.917  0.899  1.0
  O  O19  1  0.917  0.083  0.101  1.0
  O  O20  1  0.917  0.083  0.399  1.0
  O  O21  1  0.083  0.917  0.601  1.0
  O  O22  1  0.547  0.453  0.750  1.0
  O  O23  1  0.453  0.547  0.250  1.0
[/CIF]
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The crystal structure described by Cu5O7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cu(3) atoms. In the second O site, O(1) is bonded to two equivalent Cu(2) and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OCu5 square pyramids. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(3) atoms. In the fourth O site, O(3) is bonded to one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form a mixture of edge and corner-sharing OCu5 square pyramids. is represented by the CIF file [CIF]
data_Cu5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.127
_cell_length_c   17.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.944
_symmetry_Int_Tables_number   1
_cell_volume   256.321
_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  0.733  0.267  0.575  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.267  0.733  0.425  1.0
  Cu  Cu4  1  0.267  0.733  0.075  1.0
  Cu  Cu5  1  0.733  0.267  0.925  1.0
  Cu  Cu6  1  0.532  0.468  0.155  1.0
  Cu  Cu7  1  0.468  0.532  0.845  1.0
  Cu  Cu8  1  0.468  0.532  0.655  1.0
  Cu  Cu9  1  0.532  0.468  0.345  1.0
  O  O10  1  0.359  0.641  0.977  1.0
  O  O11  1  0.641  0.359  0.023  1.0
  O  O12  1  0.641  0.359  0.477  1.0
  O  O13  1  0.359  0.641  0.523  1.0
  O  O14  1  0.842  0.158  0.841  1.0
  O  O15  1  0.158  0.842  0.159  1.0
  O  O16  1  0.158  0.842  0.341  1.0
  O  O17  1  0.842  0.158  0.659  1.0
  O  O18  1  0.083  0.917  0.899  1.0
  O  O19  1  0.917  0.083  0.101  1.0
  O  O20  1  0.917  0.083  0.399  1.0
  O  O21  1  0.083  0.917  0.601  1.0
  O  O22  1  0.547  0.453  0.750  1.0
  O  O23  1  0.453  0.547  0.250  1.0
[/CIF]
.