The compound described by Ca(CuO2)2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10) and three equivalent O(1) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Cu(4)O6 octahedra, and corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-72°. In the second Ca site, Ca(2) is bonded to one O(2) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the third Ca site, Ca(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Cu(6)O4 tetrahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(6) and three equivalent O(8) atoms to form distorted CaO4 trigonal pyramids that share corners with three equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fifth Ca site, Ca(5) is bonded to one O(9) and three equivalent O(3) atoms to form CaO4 tetrahedra that share corners with three equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the sixth Ca site, Ca(6) is bonded to one O(12) and three equivalent O(7) atoms to form CaO4 tetrahedra that share corners with three equivalent Cu(4)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CuO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Ca(5)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form CuO6 octahedra that share  a cornercorner with one Ca(5)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  a cornercorner with one Ca(4)O4 trigonal pyramid,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Ca(5)O4 tetrahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form CuO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 trigonal pyramids,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Cu(4)O6 octahedra. In the fifth Cu site, Cu(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form CuO6 octahedra that share corners with three equivalent Ca(6)O4 tetrahedra, corners with three equivalent Ca(4)O4 trigonal pyramids, edges with three equivalent Cu(2)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. In the sixth Cu site, Cu(6) is bonded to one O(5) and three equivalent O(11) atoms to form CuO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with six equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), and two equivalent Cu(1) atoms to form distorted OCa2Cu2 trigonal pyramids that share  a cornercorner with one O(10)CaCu3 tetrahedra, corners with four equivalent O(3)CaCu3 tetrahedra, corners with two equivalent O(1)Ca2Cu2 trigonal pyramids,  an edgeedge with one O(2)CaCu3 trigonal pyramid, and edges with two equivalent O(1)Ca2Cu2 trigonal pyramids. In the second O site, O(2) is bonded to one Ca(2) and three equivalent Cu(1) atoms to form distorted OCaCu3 trigonal pyramids that share corners with three equivalent O(4)CaCu3 tetrahedra, corners with six equivalent O(3)CaCu3 tetrahedra, and edges with three equivalent O(1)Ca2Cu2 trigonal pyramids. In the third O site, O(3) is bonded to one Ca(5), one Cu(3), and two equivalent Cu(1) atoms to form OCaCu3 tetrahedra that share corners with two equivalent O(3)CaCu3 tetrahedra, corners with three equivalent O(4)CaCu3 tetrahedra,  a cornercorner with one O(9)CaCu3 trigonal pyramid, corners with two equivalent O(2)CaCu3 trigonal pyramids, corners with four equivalent O(1)Ca2Cu2 trigonal pyramids, and edges with two equivalent O(3)CaCu3 tetrahedra. In the fourth O site, O(4) is bonded to one Ca(2), one Cu(3), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCaCu3 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Cu(6) and three equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to one Ca(4) and three equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ca(6), one Cu(5), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCaCu3 tetrahedra. In the eighth O site, O(8) is bonded to one Ca(4), one Cu(5), and two equivalent Cu(4) atoms to form a mixture of edge and corner-sharing OCaCu3 tetrahedra. In the ninth O site, O(9) is bonded to one Ca(5) and three equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1) and three equivalent Cu(4) atoms to form OCaCu3 tetrahedra that share corners with three equivalent O(12)CaCu3 tetrahedra, corners with three equivalent O(1)Ca2Cu2 trigonal pyramids, and edges with three equivalent O(8)CaCu3 tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Cu(6), and two equivalent Cu(4) atoms. In the twelfth O site, O(12) is bonded to one Ca(6) and three equivalent Cu(4) atoms to form corner-sharing OCaCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.219
_cell_length_c   15.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   503.835
_cell_formula_units_Z   6
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  0.667  0.333  0.956  1.0
  Ca  Ca1  1  0.000  0.000  0.611  1.0
  Ca  Ca2  1  0.000  0.000  0.001  1.0
  Ca  Ca3  1  0.333  0.667  0.277  1.0
  Ca  Ca4  1  0.667  0.333  0.720  1.0
  Ca  Ca5  1  0.000  0.000  0.369  1.0
  Cu  Cu6  1  0.667  0.834  0.829  1.0
  Cu  Cu7  1  0.166  0.834  0.829  1.0
  Cu  Cu8  1  0.002  0.501  0.500  1.0
  Cu  Cu9  1  0.166  0.333  0.829  1.0
  Cu  Cu10  1  0.333  0.667  0.665  1.0
  Cu  Cu11  1  0.499  0.501  0.500  1.0
  Cu  Cu12  1  0.342  0.171  0.169  1.0
  Cu  Cu13  1  0.499  0.998  0.500  1.0
  Cu  Cu14  1  0.829  0.658  0.169  1.0
  Cu  Cu15  1  0.667  0.333  0.339  1.0
  Cu  Cu16  1  0.829  0.171  0.169  1.0
  Cu  Cu17  1  0.333  0.667  0.049  1.0
  O  O18  1  0.850  0.150  0.891  1.0
  O  O19  1  0.000  0.000  0.754  1.0
  O  O20  1  0.850  0.700  0.891  1.0
  O  O21  1  0.300  0.150  0.891  1.0
  O  O22  1  0.063  0.532  0.761  1.0
  O  O23  1  0.196  0.804  0.575  1.0
  O  O24  1  0.468  0.937  0.761  1.0
  O  O25  1  0.333  0.667  0.924  1.0
  O  O26  1  0.196  0.392  0.575  1.0
  O  O27  1  0.333  0.667  0.429  1.0
  O  O28  1  0.468  0.532  0.761  1.0
  O  O29  1  0.608  0.804  0.575  1.0
  O  O30  1  0.381  0.190  0.426  1.0
  O  O31  1  0.531  0.469  0.251  1.0
  O  O32  1  0.810  0.619  0.426  1.0
  O  O33  1  0.667  0.333  0.571  1.0
  O  O34  1  0.667  0.333  0.105  1.0
  O  O35  1  0.531  0.062  0.251  1.0
  O  O36  1  0.810  0.190  0.426  1.0
  O  O37  1  0.938  0.469  0.251  1.0
  O  O38  1  0.666  0.833  0.101  1.0
  O  O39  1  0.000  0.000  0.222  1.0
  O  O40  1  0.167  0.334  0.101  1.0
  O  O41  1  0.167  0.833  0.101  1.0
[/CIF]
.
The compound described by Ca(CuO2)2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10) and three equivalent O(1) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Cu(4)O6 octahedra, and corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-72°. In the second Ca site, Ca(2) is bonded to one O(2) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the third Ca site, Ca(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Cu(6)O4 tetrahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(6) and three equivalent O(8) atoms to form distorted CaO4 trigonal pyramids that share corners with three equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fifth Ca site, Ca(5) is bonded to one O(9) and three equivalent O(3) atoms to form CaO4 tetrahedra that share corners with three equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the sixth Ca site, Ca(6) is bonded to one O(12) and three equivalent O(7) atoms to form CaO4 tetrahedra that share corners with three equivalent Cu(4)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CuO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Ca(5)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form CuO6 octahedra that share  a cornercorner with one Ca(5)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  a cornercorner with one Ca(4)O4 trigonal pyramid,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Ca(5)O4 tetrahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form CuO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 trigonal pyramids,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Cu(4)O6 octahedra. In the fifth Cu site, Cu(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form CuO6 octahedra that share corners with three equivalent Ca(6)O4 tetrahedra, corners with three equivalent Ca(4)O4 trigonal pyramids, edges with three equivalent Cu(2)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. In the sixth Cu site, Cu(6) is bonded to one O(5) and three equivalent O(11) atoms to form CuO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with six equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), and two equivalent Cu(1) atoms to form distorted OCa2Cu2 trigonal pyramids that share  a cornercorner with one O(10)CaCu3 tetrahedra, corners with four equivalent O(3)CaCu3 tetrahedra, corners with two equivalent O(1)Ca2Cu2 trigonal pyramids,  an edgeedge with one O(2)CaCu3 trigonal pyramid, and edges with two equivalent O(1)Ca2Cu2 trigonal pyramids. In the second O site, O(2) is bonded to one Ca(2) and three equivalent Cu(1) atoms to form distorted OCaCu3 trigonal pyramids that share corners with three equivalent O(4)CaCu3 tetrahedra, corners with six equivalent O(3)CaCu3 tetrahedra, and edges with three equivalent O(1)Ca2Cu2 trigonal pyramids. In the third O site, O(3) is bonded to one Ca(5), one Cu(3), and two equivalent Cu(1) atoms to form OCaCu3 tetrahedra that share corners with two equivalent O(3)CaCu3 tetrahedra, corners with three equivalent O(4)CaCu3 tetrahedra,  a cornercorner with one O(9)CaCu3 trigonal pyramid, corners with two equivalent O(2)CaCu3 trigonal pyramids, corners with four equivalent O(1)Ca2Cu2 trigonal pyramids, and edges with two equivalent O(3)CaCu3 tetrahedra. In the fourth O site, O(4) is bonded to one Ca(2), one Cu(3), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCaCu3 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Cu(6) and three equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to one Ca(4) and three equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ca(6), one Cu(5), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCaCu3 tetrahedra. In the eighth O site, O(8) is bonded to one Ca(4), one Cu(5), and two equivalent Cu(4) atoms to form a mixture of edge and corner-sharing OCaCu3 tetrahedra. In the ninth O site, O(9) is bonded to one Ca(5) and three equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1) and three equivalent Cu(4) atoms to form OCaCu3 tetrahedra that share corners with three equivalent O(12)CaCu3 tetrahedra, corners with three equivalent O(1)Ca2Cu2 trigonal pyramids, and edges with three equivalent O(8)CaCu3 tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Cu(6), and two equivalent Cu(4) atoms. In the twelfth O site, O(12) is bonded to one Ca(6) and three equivalent Cu(4) atoms to form corner-sharing OCaCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.219
_cell_length_c   15.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   503.835
_cell_formula_units_Z   6
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  0.667  0.333  0.956  1.0
  Ca  Ca1  1  0.000  0.000  0.611  1.0
  Ca  Ca2  1  0.000  0.000  0.001  1.0
  Ca  Ca3  1  0.333  0.667  0.277  1.0
  Ca  Ca4  1  0.667  0.333  0.720  1.0
  Ca  Ca5  1  0.000  0.000  0.369  1.0
  Cu  Cu6  1  0.667  0.834  0.829  1.0
  Cu  Cu7  1  0.166  0.834  0.829  1.0
  Cu  Cu8  1  0.002  0.501  0.500  1.0
  Cu  Cu9  1  0.166  0.333  0.829  1.0
  Cu  Cu10  1  0.333  0.667  0.665  1.0
  Cu  Cu11  1  0.499  0.501  0.500  1.0
  Cu  Cu12  1  0.342  0.171  0.169  1.0
  Cu  Cu13  1  0.499  0.998  0.500  1.0
  Cu  Cu14  1  0.829  0.658  0.169  1.0
  Cu  Cu15  1  0.667  0.333  0.339  1.0
  Cu  Cu16  1  0.829  0.171  0.169  1.0
  Cu  Cu17  1  0.333  0.667  0.049  1.0
  O  O18  1  0.850  0.150  0.891  1.0
  O  O19  1  0.000  0.000  0.754  1.0
  O  O20  1  0.850  0.700  0.891  1.0
  O  O21  1  0.300  0.150  0.891  1.0
  O  O22  1  0.063  0.532  0.761  1.0
  O  O23  1  0.196  0.804  0.575  1.0
  O  O24  1  0.468  0.937  0.761  1.0
  O  O25  1  0.333  0.667  0.924  1.0
  O  O26  1  0.196  0.392  0.575  1.0
  O  O27  1  0.333  0.667  0.429  1.0
  O  O28  1  0.468  0.532  0.761  1.0
  O  O29  1  0.608  0.804  0.575  1.0
  O  O30  1  0.381  0.190  0.426  1.0
  O  O31  1  0.531  0.469  0.251  1.0
  O  O32  1  0.810  0.619  0.426  1.0
  O  O33  1  0.667  0.333  0.571  1.0
  O  O34  1  0.667  0.333  0.105  1.0
  O  O35  1  0.531  0.062  0.251  1.0
  O  O36  1  0.810  0.190  0.426  1.0
  O  O37  1  0.938  0.469  0.251  1.0
  O  O38  1  0.666  0.833  0.101  1.0
  O  O39  1  0.000  0.000  0.222  1.0
  O  O40  1  0.167  0.334  0.101  1.0
  O  O41  1  0.167  0.833  0.101  1.0
[/CIF]
.