The structure described by Ca(Cu2O3)2 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Cu site, Cu(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cu(2) and four equivalent Cu(1) atoms to form OCu6 octahedra that share corners with four equivalent O(3)CaCu5 octahedra, corners with two equivalent O(4)Ca2Cu2 tetrahedra, edges with two equivalent O(1)Cu6 octahedra, and edges with six equivalent O(3)CaCu5 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Cu(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to one Ca(1), two equivalent Cu(2), and three equivalent Cu(1) atoms to form distorted OCaCu5 octahedra that share  a cornercorner with one O(3)CaCu5 octahedra, corners with two equivalent O(1)Cu6 octahedra, edges with three equivalent O(1)Cu6 octahedra, edges with four equivalent O(3)CaCu5 octahedra, and edges with two equivalent O(4)Ca2Cu2 tetrahedra. The corner-sharing octahedral tilt angles range from 2-51°. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Cu(2) atoms to form distorted OCa2Cu2 tetrahedra that share corners with two equivalent O(1)Cu6 octahedra, corners with two equivalent O(4)Ca2Cu2 tetrahedra, and edges with four equivalent O(3)CaCu5 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(Cu2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.186
_cell_length_c   14.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.190
_symmetry_Int_Tables_number   1
_cell_volume   226.353
_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  0.339  0.661  0.750  1.0
  Ca  Ca1  1  0.661  0.339  0.250  1.0
  Cu  Cu2  1  0.138  0.862  0.041  1.0
  Cu  Cu3  1  0.590  0.410  0.632  1.0
  Cu  Cu4  1  0.862  0.138  0.959  1.0
  Cu  Cu5  1  0.410  0.590  0.368  1.0
  Cu  Cu6  1  0.138  0.862  0.459  1.0
  Cu  Cu7  1  0.862  0.138  0.541  1.0
  Cu  Cu8  1  0.410  0.590  0.132  1.0
  Cu  Cu9  1  0.590  0.410  0.868  1.0
  O  O10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.956  0.044  0.849  1.0
  O  O13  1  0.044  0.956  0.151  1.0
  O  O14  1  0.044  0.956  0.349  1.0
  O  O15  1  0.956  0.044  0.651  1.0
  O  O16  1  0.218  0.782  0.922  1.0
  O  O17  1  0.782  0.218  0.078  1.0
  O  O18  1  0.782  0.218  0.422  1.0
  O  O19  1  0.218  0.782  0.578  1.0
  O  O20  1  0.673  0.327  0.750  1.0
  O  O21  1  0.327  0.673  0.250  1.0
[/CIF]
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The structure described by Ca(Cu2O3)2 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Cu site, Cu(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cu(2) and four equivalent Cu(1) atoms to form OCu6 octahedra that share corners with four equivalent O(3)CaCu5 octahedra, corners with two equivalent O(4)Ca2Cu2 tetrahedra, edges with two equivalent O(1)Cu6 octahedra, and edges with six equivalent O(3)CaCu5 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Cu(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to one Ca(1), two equivalent Cu(2), and three equivalent Cu(1) atoms to form distorted OCaCu5 octahedra that share  a cornercorner with one O(3)CaCu5 octahedra, corners with two equivalent O(1)Cu6 octahedra, edges with three equivalent O(1)Cu6 octahedra, edges with four equivalent O(3)CaCu5 octahedra, and edges with two equivalent O(4)Ca2Cu2 tetrahedra. The corner-sharing octahedral tilt angles range from 2-51°. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Cu(2) atoms to form distorted OCa2Cu2 tetrahedra that share corners with two equivalent O(1)Cu6 octahedra, corners with two equivalent O(4)Ca2Cu2 tetrahedra, and edges with four equivalent O(3)CaCu5 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(Cu2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.186
_cell_length_c   14.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.190
_symmetry_Int_Tables_number   1
_cell_volume   226.353
_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  0.339  0.661  0.750  1.0
  Ca  Ca1  1  0.661  0.339  0.250  1.0
  Cu  Cu2  1  0.138  0.862  0.041  1.0
  Cu  Cu3  1  0.590  0.410  0.632  1.0
  Cu  Cu4  1  0.862  0.138  0.959  1.0
  Cu  Cu5  1  0.410  0.590  0.368  1.0
  Cu  Cu6  1  0.138  0.862  0.459  1.0
  Cu  Cu7  1  0.862  0.138  0.541  1.0
  Cu  Cu8  1  0.410  0.590  0.132  1.0
  Cu  Cu9  1  0.590  0.410  0.868  1.0
  O  O10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.956  0.044  0.849  1.0
  O  O13  1  0.044  0.956  0.151  1.0
  O  O14  1  0.044  0.956  0.349  1.0
  O  O15  1  0.956  0.044  0.651  1.0
  O  O16  1  0.218  0.782  0.922  1.0
  O  O17  1  0.782  0.218  0.078  1.0
  O  O18  1  0.782  0.218  0.422  1.0
  O  O19  1  0.218  0.782  0.578  1.0
  O  O20  1  0.673  0.327  0.750  1.0
  O  O21  1  0.327  0.673  0.250  1.0
[/CIF]
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