The crystal structure described by Cu8O7 crystallizes in the cubic Fm-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and edges with twelve equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share corners with nine equivalent Cu(2)O5 square pyramids, edges with four equivalent Cu(1)O6 octahedra, and edges with four equivalent Cu(2)O5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form a mixture of corner and edge-sharing OCu6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to six equivalent Cu(2) atoms to form edge-sharing OCu6 octahedra. is represented by the CIF card [CIF]
data_Cu8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.936
_cell_length_c   5.936
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   147.893
_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
  Cu  Cu0  1  0.750  0.750  0.750  1.0
  Cu  Cu1  1  0.258  0.258  0.742  1.0
  Cu  Cu2  1  0.258  0.742  0.742  1.0
  Cu  Cu3  1  0.742  0.258  0.258  1.0
  Cu  Cu4  1  0.258  0.742  0.258  1.0
  Cu  Cu5  1  0.742  0.258  0.742  1.0
  Cu  Cu6  1  0.250  0.250  0.250  1.0
  Cu  Cu7  1  0.742  0.742  0.258  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Cu8O7 crystallizes in the cubic Fm-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and edges with twelve equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share corners with nine equivalent Cu(2)O5 square pyramids, edges with four equivalent Cu(1)O6 octahedra, and edges with four equivalent Cu(2)O5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form a mixture of corner and edge-sharing OCu6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to six equivalent Cu(2) atoms to form edge-sharing OCu6 octahedra. is represented by the CIF card [CIF]
data_Cu8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.936
_cell_length_c   5.936
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   147.893
_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
  Cu  Cu0  1  0.750  0.750  0.750  1.0
  Cu  Cu1  1  0.258  0.258  0.742  1.0
  Cu  Cu2  1  0.258  0.742  0.742  1.0
  Cu  Cu3  1  0.742  0.258  0.258  1.0
  Cu  Cu4  1  0.258  0.742  0.258  1.0
  Cu  Cu5  1  0.742  0.258  0.742  1.0
  Cu  Cu6  1  0.250  0.250  0.250  1.0
  Cu  Cu7  1  0.742  0.742  0.258  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.000  0.000  0.000  1.0
[/CIF]
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