The material structure described by Zn(CuO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/a space group. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Cu(1)O6 octahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cu(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_Zn(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.910
_cell_length_c   5.910
_cell_angle_alpha   117.665
_cell_angle_beta   117.665
_cell_angle_gamma   94.095
_symmetry_Int_Tables_number   1
_cell_volume   150.683
_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  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.375  0.125  0.250  1.0
  Cu  Cu3  1  0.875  0.125  0.750  1.0
  Cu  Cu4  1  0.875  0.625  0.750  1.0
  Cu  Cu5  1  0.875  0.125  0.250  1.0
  O  O6  1  0.618  0.408  0.316  1.0
  O  O7  1  0.592  0.908  0.211  1.0
  O  O8  1  0.697  0.382  0.789  1.0
  O  O9  1  0.658  0.947  0.816  1.0
  O  O10  1  0.053  0.868  0.711  1.0
  O  O11  1  0.158  0.342  0.289  1.0
  O  O12  1  0.092  0.303  0.684  1.0
  O  O13  1  0.132  0.842  0.184  1.0
[/CIF]
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The material structure described by Zn(CuO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/a space group. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Cu(1)O6 octahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cu(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_Zn(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.910
_cell_length_c   5.910
_cell_angle_alpha   117.665
_cell_angle_beta   117.665
_cell_angle_gamma   94.095
_symmetry_Int_Tables_number   1
_cell_volume   150.683
_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  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.375  0.125  0.250  1.0
  Cu  Cu3  1  0.875  0.125  0.750  1.0
  Cu  Cu4  1  0.875  0.625  0.750  1.0
  Cu  Cu5  1  0.875  0.125  0.250  1.0
  O  O6  1  0.618  0.408  0.316  1.0
  O  O7  1  0.592  0.908  0.211  1.0
  O  O8  1  0.697  0.382  0.789  1.0
  O  O9  1  0.658  0.947  0.816  1.0
  O  O10  1  0.053  0.868  0.711  1.0
  O  O11  1  0.158  0.342  0.289  1.0
  O  O12  1  0.092  0.303  0.684  1.0
  O  O13  1  0.132  0.842  0.184  1.0
[/CIF]
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