The material described by Cu8O7 crystallizes in the monoclinic C2 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(1), one O(3), and one O(4) atom. In the third Cu site, Cu(3) is bonded in a T-shaped geometry to one O(1), one O(3), and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Cu(4) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Cu(2) and two equivalent Cu(3) atoms to form a mixture of distorted corner and edge-sharing OCu4 tetrahedra. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Cu(1) and two equivalent Cu(4) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   6.402
_cell_angle_alpha   64.274
_cell_angle_beta   64.274
_cell_angle_gamma   89.957
_symmetry_Int_Tables_number   1
_cell_volume   172.982
_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  0.997  0.992  0.259  1.0
  Cu  Cu1  1  0.506  0.002  0.235  1.0
  Cu  Cu2  1  0.500  0.489  0.773  1.0
  Cu  Cu3  1  0.998  0.494  0.765  1.0
  Cu  Cu4  1  0.511  0.500  0.227  1.0
  Cu  Cu5  1  0.997  0.501  0.259  1.0
  Cu  Cu6  1  0.499  0.003  0.741  1.0
  Cu  Cu7  1  0.008  0.003  0.741  1.0
  O  O8  1  0.633  0.869  0.991  1.0
  O  O9  1  0.130  0.870  0.000  1.0
  O  O10  1  0.131  0.367  0.009  1.0
  O  O11  1  0.379  0.621  0.500  1.0
  O  O12  1  0.860  0.615  0.531  1.0
  O  O13  1  0.868  0.132  0.500  1.0
  O  O14  1  0.385  0.140  0.469  1.0
[/CIF]
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The material described by Cu8O7 crystallizes in the monoclinic C2 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(1), one O(3), and one O(4) atom. In the third Cu site, Cu(3) is bonded in a T-shaped geometry to one O(1), one O(3), and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Cu(4) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Cu(2) and two equivalent Cu(3) atoms to form a mixture of distorted corner and edge-sharing OCu4 tetrahedra. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Cu(1) and two equivalent Cu(4) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   6.402
_cell_angle_alpha   64.274
_cell_angle_beta   64.274
_cell_angle_gamma   89.957
_symmetry_Int_Tables_number   1
_cell_volume   172.982
_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  0.997  0.992  0.259  1.0
  Cu  Cu1  1  0.506  0.002  0.235  1.0
  Cu  Cu2  1  0.500  0.489  0.773  1.0
  Cu  Cu3  1  0.998  0.494  0.765  1.0
  Cu  Cu4  1  0.511  0.500  0.227  1.0
  Cu  Cu5  1  0.997  0.501  0.259  1.0
  Cu  Cu6  1  0.499  0.003  0.741  1.0
  Cu  Cu7  1  0.008  0.003  0.741  1.0
  O  O8  1  0.633  0.869  0.991  1.0
  O  O9  1  0.130  0.870  0.000  1.0
  O  O10  1  0.131  0.367  0.009  1.0
  O  O11  1  0.379  0.621  0.500  1.0
  O  O12  1  0.860  0.615  0.531  1.0
  O  O13  1  0.868  0.132  0.500  1.0
  O  O14  1  0.385  0.140  0.469  1.0
[/CIF]
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