The material described by (CuO2)(Y)(CuO2) crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one Cu(1), and one Cu(2) atom to form a mixture of edge and corner-sharing OY2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OY2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_Y(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   5.677
_cell_length_c   6.186
_cell_angle_alpha   116.432
_cell_angle_beta   116.011
_cell_angle_gamma   91.737
_symmetry_Int_Tables_number   1
_cell_volume   151.834
_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
  Y  Y0  1  0.875  0.125  0.750  1.0
  Y  Y1  1  0.125  0.875  0.250  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.721  0.525  0.857  1.0
  O  O7  1  0.137  0.832  0.857  1.0
  O  O8  1  0.279  0.475  0.143  1.0
  O  O9  1  0.863  0.168  0.143  1.0
  O  O10  1  0.536  0.135  0.351  1.0
  O  O11  1  0.814  0.715  0.351  1.0
  O  O12  1  0.186  0.285  0.649  1.0
  O  O13  1  0.464  0.865  0.649  1.0
[/CIF]
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The material described by (CuO2)(Y)(CuO2) crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one Cu(1), and one Cu(2) atom to form a mixture of edge and corner-sharing OY2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OY2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_Y(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   5.677
_cell_length_c   6.186
_cell_angle_alpha   116.432
_cell_angle_beta   116.011
_cell_angle_gamma   91.737
_symmetry_Int_Tables_number   1
_cell_volume   151.834
_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
  Y  Y0  1  0.875  0.125  0.750  1.0
  Y  Y1  1  0.125  0.875  0.250  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.721  0.525  0.857  1.0
  O  O7  1  0.137  0.832  0.857  1.0
  O  O8  1  0.279  0.475  0.143  1.0
  O  O9  1  0.863  0.168  0.143  1.0
  O  O10  1  0.536  0.135  0.351  1.0
  O  O11  1  0.814  0.715  0.351  1.0
  O  O12  1  0.186  0.285  0.649  1.0
  O  O13  1  0.464  0.865  0.649  1.0
[/CIF]
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