The structure described by Ca(CuO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   119.031
_cell_angle_beta   117.859
_cell_angle_gamma   92.718
_symmetry_Int_Tables_number   1
_cell_volume   166.458
_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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.141  0.891  0.250  1.0
  Cu  Cu3  1  0.859  0.109  0.750  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.720  0.217  0.996  1.0
  O  O7  1  0.721  0.229  0.492  1.0
  O  O8  1  0.720  0.724  0.504  1.0
  O  O9  1  0.237  0.229  0.008  1.0
  O  O10  1  0.763  0.771  0.992  1.0
  O  O11  1  0.279  0.771  0.508  1.0
  O  O12  1  0.280  0.276  0.496  1.0
  O  O13  1  0.280  0.783  0.004  1.0
[/CIF]
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The structure described by Ca(CuO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   119.031
_cell_angle_beta   117.859
_cell_angle_gamma   92.718
_symmetry_Int_Tables_number   1
_cell_volume   166.458
_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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.141  0.891  0.250  1.0
  Cu  Cu3  1  0.859  0.109  0.750  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.720  0.217  0.996  1.0
  O  O7  1  0.721  0.229  0.492  1.0
  O  O8  1  0.720  0.724  0.504  1.0
  O  O9  1  0.237  0.229  0.008  1.0
  O  O10  1  0.763  0.771  0.992  1.0
  O  O11  1  0.279  0.771  0.508  1.0
  O  O12  1  0.280  0.276  0.496  1.0
  O  O13  1  0.280  0.783  0.004  1.0
[/CIF]
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