The compound described by CaCuO2 crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OCa4Cu square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_CaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.146
_cell_length_b   5.776
_cell_length_c   5.776
_cell_angle_alpha   71.604
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.581
_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  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.500  0.201  0.201  1.0
  O  O5  1  0.000  0.679  0.321  1.0
  O  O6  1  0.000  0.321  0.679  1.0
  O  O7  1  0.500  0.799  0.799  1.0
[/CIF]
.
The compound described by CaCuO2 crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OCa4Cu square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_CaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.146
_cell_length_b   5.776
_cell_length_c   5.776
_cell_angle_alpha   71.604
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.581
_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  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.500  0.201  0.201  1.0
  O  O5  1  0.000  0.679  0.321  1.0
  O  O6  1  0.000  0.321  0.679  1.0
  O  O7  1  0.500  0.799  0.799  1.0
[/CIF]
.