The material described by Zn(CuO2)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(13), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the fifth Cu site, Cu(5) is bonded to one O(4), one O(8), two equivalent O(15), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the sixth Cu site, Cu(6) is bonded to one O(3), one O(7), two equivalent O(16), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the seventh Cu site, Cu(7) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the eighth Cu site, Cu(8) is bonded to one O(1), one O(5), two equivalent O(13), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(14), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(12), two equivalent O(13), and two equivalent O(4) atoms. In the third Zn site, Zn(3) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(15), and two equivalent O(9) atoms. In the fourth Zn site, Zn(4) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(16), and two equivalent O(2) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Cu(8), two equivalent Cu(7), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the second O site, O(2) is bonded to one Cu(7), two equivalent Cu(8), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded to one Cu(6), two equivalent Cu(5), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Cu(5), two equivalent Cu(6), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Cu(8), two equivalent Cu(2), one Zn(2), and one Zn(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Cu(7), two equivalent Cu(3), one Zn(1), and one Zn(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Cu(6), two equivalent Cu(4), one Zn(2), and one Zn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Cu(5), two equivalent Cu(1), one Zn(1), and one Zn(3) atom. In the ninth O site, O(9) is bonded to one Cu(1), two equivalent Cu(4), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Cu(4), two equivalent Cu(1), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Cu(3), two equivalent Cu(2), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Cu(2), two equivalent Cu(3), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Cu(4), two equivalent Cu(8), and two equivalent Zn(2) atoms. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(7), and two equivalent Zn(1) atoms. In the fifteenth O site, O(15) is bonded to one Cu(3), two equivalent Cu(5), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent Cu(6), and two equivalent Zn(4) atoms. is represented by the CIF card [CIF]
data_Zn(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.926
_cell_length_b   8.904
_cell_length_c   10.345
_cell_angle_alpha   90.076
_cell_angle_beta   89.997
_cell_angle_gamma   89.719
_symmetry_Int_Tables_number   1
_cell_volume   269.552
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.740  0.242  0.345  1.0
  Zn  Zn1  1  0.257  0.756  0.660  1.0
  Zn  Zn2  1  0.753  0.745  0.159  1.0
  Zn  Zn3  1  0.242  0.259  0.840  1.0
  Cu  Cu4  1  0.249  0.413  0.103  1.0
  Cu  Cu5  1  0.753  0.087  0.603  1.0
  Cu  Cu6  1  0.253  0.914  0.398  1.0
  Cu  Cu7  1  0.749  0.588  0.898  1.0
  Cu  Cu8  1  0.749  0.559  0.382  1.0
  Cu  Cu9  1  0.253  0.442  0.617  1.0
  Cu  Cu10  1  0.755  0.062  0.117  1.0
  Cu  Cu11  1  0.253  0.943  0.884  1.0
  O  O12  1  0.252  0.906  0.071  1.0
  O  O13  1  0.753  0.101  0.929  1.0
  O  O14  1  0.246  0.403  0.430  1.0
  O  O15  1  0.750  0.600  0.570  1.0
  O  O16  1  0.258  0.029  0.716  1.0
  O  O17  1  0.750  0.974  0.285  1.0
  O  O18  1  0.249  0.529  0.785  1.0
  O  O19  1  0.748  0.468  0.216  1.0
  O  O20  1  0.244  0.621  0.035  1.0
  O  O21  1  0.750  0.382  0.965  1.0
  O  O22  1  0.240  0.121  0.465  1.0
  O  O23  1  0.762  0.882  0.533  1.0
  O  O24  1  0.746  0.790  0.824  1.0
  O  O25  1  0.259  0.212  0.176  1.0
  O  O26  1  0.259  0.713  0.322  1.0
  O  O27  1  0.751  0.288  0.677  1.0
[/CIF]
.
The material described by Zn(CuO2)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(13), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the fifth Cu site, Cu(5) is bonded to one O(4), one O(8), two equivalent O(15), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the sixth Cu site, Cu(6) is bonded to one O(3), one O(7), two equivalent O(16), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the seventh Cu site, Cu(7) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the eighth Cu site, Cu(8) is bonded to one O(1), one O(5), two equivalent O(13), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(14), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(12), two equivalent O(13), and two equivalent O(4) atoms. In the third Zn site, Zn(3) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(15), and two equivalent O(9) atoms. In the fourth Zn site, Zn(4) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(16), and two equivalent O(2) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Cu(8), two equivalent Cu(7), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the second O site, O(2) is bonded to one Cu(7), two equivalent Cu(8), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded to one Cu(6), two equivalent Cu(5), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Cu(5), two equivalent Cu(6), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Cu(8), two equivalent Cu(2), one Zn(2), and one Zn(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Cu(7), two equivalent Cu(3), one Zn(1), and one Zn(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Cu(6), two equivalent Cu(4), one Zn(2), and one Zn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Cu(5), two equivalent Cu(1), one Zn(1), and one Zn(3) atom. In the ninth O site, O(9) is bonded to one Cu(1), two equivalent Cu(4), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Cu(4), two equivalent Cu(1), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Cu(3), two equivalent Cu(2), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Cu(2), two equivalent Cu(3), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Cu(4), two equivalent Cu(8), and two equivalent Zn(2) atoms. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(7), and two equivalent Zn(1) atoms. In the fifteenth O site, O(15) is bonded to one Cu(3), two equivalent Cu(5), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent Cu(6), and two equivalent Zn(4) atoms. is represented by the CIF card [CIF]
data_Zn(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.926
_cell_length_b   8.904
_cell_length_c   10.345
_cell_angle_alpha   90.076
_cell_angle_beta   89.997
_cell_angle_gamma   89.719
_symmetry_Int_Tables_number   1
_cell_volume   269.552
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.740  0.242  0.345  1.0
  Zn  Zn1  1  0.257  0.756  0.660  1.0
  Zn  Zn2  1  0.753  0.745  0.159  1.0
  Zn  Zn3  1  0.242  0.259  0.840  1.0
  Cu  Cu4  1  0.249  0.413  0.103  1.0
  Cu  Cu5  1  0.753  0.087  0.603  1.0
  Cu  Cu6  1  0.253  0.914  0.398  1.0
  Cu  Cu7  1  0.749  0.588  0.898  1.0
  Cu  Cu8  1  0.749  0.559  0.382  1.0
  Cu  Cu9  1  0.253  0.442  0.617  1.0
  Cu  Cu10  1  0.755  0.062  0.117  1.0
  Cu  Cu11  1  0.253  0.943  0.884  1.0
  O  O12  1  0.252  0.906  0.071  1.0
  O  O13  1  0.753  0.101  0.929  1.0
  O  O14  1  0.246  0.403  0.430  1.0
  O  O15  1  0.750  0.600  0.570  1.0
  O  O16  1  0.258  0.029  0.716  1.0
  O  O17  1  0.750  0.974  0.285  1.0
  O  O18  1  0.249  0.529  0.785  1.0
  O  O19  1  0.748  0.468  0.216  1.0
  O  O20  1  0.244  0.621  0.035  1.0
  O  O21  1  0.750  0.382  0.965  1.0
  O  O22  1  0.240  0.121  0.465  1.0
  O  O23  1  0.762  0.882  0.533  1.0
  O  O24  1  0.746  0.790  0.824  1.0
  O  O25  1  0.259  0.212  0.176  1.0
  O  O26  1  0.259  0.713  0.322  1.0
  O  O27  1  0.751  0.288  0.677  1.0
[/CIF]
.