The material described by ZnO2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one O(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one O(1) atom. In the third O site, O(3) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. is represented by the CIF card [CIF]
data_ZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   3.562
_cell_length_c   7.104
_cell_angle_alpha   87.347
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.068
_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  0.878  0.253  0.403  1.0
  Zn  Zn1  1  0.378  0.747  0.597  1.0
  Zn  Zn2  1  0.124  0.743  0.098  1.0
  Zn  Zn3  1  0.624  0.257  0.902  1.0
  O  O4  1  0.476  0.840  0.267  1.0
  O  O5  1  0.976  0.160  0.733  1.0
  O  O6  1  0.521  0.186  0.228  1.0
  O  O7  1  0.021  0.814  0.772  1.0
  O  O8  1  0.952  0.251  0.092  1.0
  O  O9  1  0.452  0.749  0.908  1.0
  O  O10  1  0.051  0.745  0.408  1.0
  O  O11  1  0.551  0.255  0.592  1.0
[/CIF]
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The material described by ZnO2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one O(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one O(1) atom. In the third O site, O(3) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. is represented by the CIF card [CIF]
data_ZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   3.562
_cell_length_c   7.104
_cell_angle_alpha   87.347
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.068
_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  0.878  0.253  0.403  1.0
  Zn  Zn1  1  0.378  0.747  0.597  1.0
  Zn  Zn2  1  0.124  0.743  0.098  1.0
  Zn  Zn3  1  0.624  0.257  0.902  1.0
  O  O4  1  0.476  0.840  0.267  1.0
  O  O5  1  0.976  0.160  0.733  1.0
  O  O6  1  0.521  0.186  0.228  1.0
  O  O7  1  0.021  0.814  0.772  1.0
  O  O8  1  0.952  0.251  0.092  1.0
  O  O9  1  0.452  0.749  0.908  1.0
  O  O10  1  0.051  0.745  0.408  1.0
  O  O11  1  0.551  0.255  0.592  1.0
[/CIF]
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