The material structure described by Cu8O7 crystallizes in the monoclinic Cm space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one O(2), one O(5), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(1), one O(5), and one O(6) atom. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the sixth Cu site, Cu(6) is bonded in a distorted T-shaped geometry to one O(4), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(4), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to one Cu(2), one Cu(5), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the third O site, O(3) is bonded to one Cu(1), one Cu(5), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(5), and two equivalent Cu(6) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the fifth O site, O(5) is bonded to one Cu(2), one Cu(4), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the sixth O site, O(6) is bonded to one Cu(1), one Cu(4), and two equivalent Cu(6) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the seventh O site, O(7) is bonded to one Cu(2), one Cu(5), and two equivalent Cu(6) atoms to form a mixture of distorted corner and edge-sharing OCu4 tetrahedra. is represented by the CIF card [CIF]
data_Cu8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   5.900
_cell_angle_alpha   63.510
_cell_angle_beta   63.510
_cell_angle_gamma   54.246
_symmetry_Int_Tables_number   1
_cell_volume   172.543
_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  0.002  0.002  0.008  1.0
  Cu  Cu1  1  0.509  0.509  0.971  1.0
  Cu  Cu2  1  0.501  0.008  0.999  1.0
  Cu  Cu3  1  0.008  0.501  0.999  1.0
  Cu  Cu4  1  0.744  0.744  0.499  1.0
  Cu  Cu5  1  0.265  0.265  0.500  1.0
  Cu  Cu6  1  0.264  0.758  0.515  1.0
  Cu  Cu7  1  0.758  0.264  0.515  1.0
  O  O8  1  0.811  0.811  0.130  1.0
  O  O9  1  0.321  0.321  0.130  1.0
  O  O10  1  0.194  0.194  0.874  1.0
  O  O11  1  0.072  0.072  0.630  1.0
  O  O12  1  0.692  0.692  0.858  1.0
  O  O13  1  0.946  0.946  0.367  1.0
  O  O14  1  0.452  0.452  0.405  1.0
[/CIF]
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The material structure described by Cu8O7 crystallizes in the monoclinic Cm space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one O(2), one O(5), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(1), one O(5), and one O(6) atom. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the sixth Cu site, Cu(6) is bonded in a distorted T-shaped geometry to one O(4), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(4), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to one Cu(2), one Cu(5), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the third O site, O(3) is bonded to one Cu(1), one Cu(5), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(5), and two equivalent Cu(6) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the fifth O site, O(5) is bonded to one Cu(2), one Cu(4), and two equivalent Cu(3) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the sixth O site, O(6) is bonded to one Cu(1), one Cu(4), and two equivalent Cu(6) atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra. In the seventh O site, O(7) is bonded to one Cu(2), one Cu(5), and two equivalent Cu(6) atoms to form a mixture of distorted corner and edge-sharing OCu4 tetrahedra. is represented by the CIF card [CIF]
data_Cu8O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   5.900
_cell_angle_alpha   63.510
_cell_angle_beta   63.510
_cell_angle_gamma   54.246
_symmetry_Int_Tables_number   1
_cell_volume   172.543
_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  0.002  0.002  0.008  1.0
  Cu  Cu1  1  0.509  0.509  0.971  1.0
  Cu  Cu2  1  0.501  0.008  0.999  1.0
  Cu  Cu3  1  0.008  0.501  0.999  1.0
  Cu  Cu4  1  0.744  0.744  0.499  1.0
  Cu  Cu5  1  0.265  0.265  0.500  1.0
  Cu  Cu6  1  0.264  0.758  0.515  1.0
  Cu  Cu7  1  0.758  0.264  0.515  1.0
  O  O8  1  0.811  0.811  0.130  1.0
  O  O9  1  0.321  0.321  0.130  1.0
  O  O10  1  0.194  0.194  0.874  1.0
  O  O11  1  0.072  0.072  0.630  1.0
  O  O12  1  0.692  0.692  0.858  1.0
  O  O13  1  0.946  0.946  0.367  1.0
  O  O14  1  0.452  0.452  0.405  1.0
[/CIF]
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