The crystal structure described by Y2(CuO2)3 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing YO6 octahedra. In the second Y site, Y(2) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted edge-sharing YO6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(6) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cu(1) atom. In the second O site, O(2) is bonded to one Y(2), two equivalent Y(1), and one Cu(3) atom to form a mixture of corner and edge-sharing OY3Cu tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OY3Cu tetrahedra. is represented by the CIF file [CIF]
data_Y2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.094
_cell_length_b   3.560
_cell_length_c   8.784
_cell_angle_alpha   78.502
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.584
_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  0.007  0.332  0.846  1.0
  Y  Y1  1  0.989  0.015  0.473  1.0
  Y  Y2  1  0.507  0.668  0.154  1.0
  Y  Y3  1  0.489  0.985  0.527  1.0
  Cu  Cu4  1  0.750  0.213  0.068  1.0
  Cu  Cu5  1  0.735  0.543  0.412  1.0
  Cu  Cu6  1  0.765  0.893  0.718  1.0
  Cu  Cu7  1  0.250  0.787  0.932  1.0
  Cu  Cu8  1  0.265  0.107  0.282  1.0
  Cu  Cu9  1  0.235  0.457  0.588  1.0
  O  O10  1  0.393  0.760  0.955  1.0
  O  O11  1  0.412  0.109  0.274  1.0
  O  O12  1  0.384  0.456  0.584  1.0
  O  O13  1  0.893  0.240  0.045  1.0
  O  O14  1  0.884  0.544  0.416  1.0
  O  O15  1  0.912  0.891  0.726  1.0
  O  O16  1  0.108  0.799  0.912  1.0
  O  O17  1  0.121  0.104  0.293  1.0
  O  O18  1  0.086  0.453  0.598  1.0
  O  O19  1  0.608  0.201  0.088  1.0
  O  O20  1  0.586  0.547  0.402  1.0
  O  O21  1  0.621  0.896  0.707  1.0
[/CIF]
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The crystal structure described by Y2(CuO2)3 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing YO6 octahedra. In the second Y site, Y(2) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted edge-sharing YO6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(6) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cu(1) atom. In the second O site, O(2) is bonded to one Y(2), two equivalent Y(1), and one Cu(3) atom to form a mixture of corner and edge-sharing OY3Cu tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OY3Cu tetrahedra. is represented by the CIF file [CIF]
data_Y2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.094
_cell_length_b   3.560
_cell_length_c   8.784
_cell_angle_alpha   78.502
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.584
_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  0.007  0.332  0.846  1.0
  Y  Y1  1  0.989  0.015  0.473  1.0
  Y  Y2  1  0.507  0.668  0.154  1.0
  Y  Y3  1  0.489  0.985  0.527  1.0
  Cu  Cu4  1  0.750  0.213  0.068  1.0
  Cu  Cu5  1  0.735  0.543  0.412  1.0
  Cu  Cu6  1  0.765  0.893  0.718  1.0
  Cu  Cu7  1  0.250  0.787  0.932  1.0
  Cu  Cu8  1  0.265  0.107  0.282  1.0
  Cu  Cu9  1  0.235  0.457  0.588  1.0
  O  O10  1  0.393  0.760  0.955  1.0
  O  O11  1  0.412  0.109  0.274  1.0
  O  O12  1  0.384  0.456  0.584  1.0
  O  O13  1  0.893  0.240  0.045  1.0
  O  O14  1  0.884  0.544  0.416  1.0
  O  O15  1  0.912  0.891  0.726  1.0
  O  O16  1  0.108  0.799  0.912  1.0
  O  O17  1  0.121  0.104  0.293  1.0
  O  O18  1  0.086  0.453  0.598  1.0
  O  O19  1  0.608  0.201  0.088  1.0
  O  O20  1  0.586  0.547  0.402  1.0
  O  O21  1  0.621  0.896  0.707  1.0
[/CIF]
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