The material structure described by Co(CuO2)4 crystallizes in the monoclinic C2/m space group. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra and edges with four equivalent Cu(3)O6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with four equivalent Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Cu(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_Co(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.961
_cell_length_b   5.961
_cell_length_c   5.485
_cell_angle_alpha   69.468
_cell_angle_beta   69.468
_cell_angle_gamma   57.614
_symmetry_Int_Tables_number   1
_cell_volume   150.836
_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
  Co  Co0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.699  0.699  0.828  1.0
  O  O6  1  0.702  0.264  0.768  1.0
  O  O7  1  0.264  0.702  0.768  1.0
  O  O8  1  0.198  0.198  0.839  1.0
  O  O9  1  0.802  0.802  0.161  1.0
  O  O10  1  0.736  0.298  0.232  1.0
  O  O11  1  0.298  0.736  0.232  1.0
  O  O12  1  0.301  0.301  0.172  1.0
[/CIF]
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The material structure described by Co(CuO2)4 crystallizes in the monoclinic C2/m space group. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra and edges with four equivalent Cu(3)O6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with four equivalent Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Cu(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_Co(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.961
_cell_length_b   5.961
_cell_length_c   5.485
_cell_angle_alpha   69.468
_cell_angle_beta   69.468
_cell_angle_gamma   57.614
_symmetry_Int_Tables_number   1
_cell_volume   150.836
_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
  Co  Co0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.699  0.699  0.828  1.0
  O  O6  1  0.702  0.264  0.768  1.0
  O  O7  1  0.264  0.702  0.768  1.0
  O  O8  1  0.198  0.198  0.839  1.0
  O  O9  1  0.802  0.802  0.161  1.0
  O  O10  1  0.736  0.298  0.232  1.0
  O  O11  1  0.298  0.736  0.232  1.0
  O  O12  1  0.301  0.301  0.172  1.0
[/CIF]
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