The compound described by Ca(CuO2)2 crystallizes in the tetragonal I4_1/a space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Cu2 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   6.201
_cell_length_b   6.201
_cell_length_c   6.201
_cell_angle_alpha   125.179
_cell_angle_beta   125.179
_cell_angle_gamma   81.242
_symmetry_Int_Tables_number   1
_cell_volume   153.461
_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  0.750  0.250  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.875  0.625  0.250  1.0
  Cu  Cu3  1  0.375  0.625  0.750  1.0
  Cu  Cu4  1  0.375  0.125  0.750  1.0
  Cu  Cu5  1  0.375  0.625  0.250  1.0
  O  O6  1  0.024  0.942  0.368  1.0
  O  O7  1  0.058  0.426  0.082  1.0
  O  O8  1  0.344  0.976  0.918  1.0
  O  O9  1  0.176  0.594  0.868  1.0
  O  O10  1  0.406  0.274  0.582  1.0
  O  O11  1  0.692  0.824  0.418  1.0
  O  O12  1  0.574  0.656  0.632  1.0
  O  O13  1  0.726  0.308  0.132  1.0
[/CIF]
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The compound described by Ca(CuO2)2 crystallizes in the tetragonal I4_1/a space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Cu2 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   6.201
_cell_length_b   6.201
_cell_length_c   6.201
_cell_angle_alpha   125.179
_cell_angle_beta   125.179
_cell_angle_gamma   81.242
_symmetry_Int_Tables_number   1
_cell_volume   153.461
_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  0.750  0.250  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.875  0.625  0.250  1.0
  Cu  Cu3  1  0.375  0.625  0.750  1.0
  Cu  Cu4  1  0.375  0.125  0.750  1.0
  Cu  Cu5  1  0.375  0.625  0.250  1.0
  O  O6  1  0.024  0.942  0.368  1.0
  O  O7  1  0.058  0.426  0.082  1.0
  O  O8  1  0.344  0.976  0.918  1.0
  O  O9  1  0.176  0.594  0.868  1.0
  O  O10  1  0.406  0.274  0.582  1.0
  O  O11  1  0.692  0.824  0.418  1.0
  O  O12  1  0.574  0.656  0.632  1.0
  O  O13  1  0.726  0.308  0.132  1.0
[/CIF]
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