The material structure described by Zn(CuO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Cu(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   5.925
_cell_length_c   5.925
_cell_angle_alpha   119.542
_cell_angle_beta   118.933
_cell_angle_gamma   91.326
_symmetry_Int_Tables_number   1
_cell_volume   148.758
_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
  Zn  Zn0  1  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.615  0.865  0.750  1.0
  Cu  Cu3  1  0.385  0.135  0.250  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.783  0.267  0.516  1.0
  O  O7  1  0.256  0.736  0.980  1.0
  O  O8  1  0.252  0.267  0.984  1.0
  O  O9  1  0.256  0.275  0.520  1.0
  O  O10  1  0.744  0.725  0.480  1.0
  O  O11  1  0.744  0.264  0.020  1.0
  O  O12  1  0.748  0.733  0.016  1.0
  O  O13  1  0.217  0.733  0.484  1.0
[/CIF]
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The material structure described by Zn(CuO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Cu(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   5.925
_cell_length_c   5.925
_cell_angle_alpha   119.542
_cell_angle_beta   118.933
_cell_angle_gamma   91.326
_symmetry_Int_Tables_number   1
_cell_volume   148.758
_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
  Zn  Zn0  1  0.000  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.615  0.865  0.750  1.0
  Cu  Cu3  1  0.385  0.135  0.250  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.783  0.267  0.516  1.0
  O  O7  1  0.256  0.736  0.980  1.0
  O  O8  1  0.252  0.267  0.984  1.0
  O  O9  1  0.256  0.275  0.520  1.0
  O  O10  1  0.744  0.725  0.480  1.0
  O  O11  1  0.744  0.264  0.020  1.0
  O  O12  1  0.748  0.733  0.016  1.0
  O  O13  1  0.217  0.733  0.484  1.0
[/CIF]
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