The structure described by ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Zr(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing ZrO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.216
_cell_length_b   5.219
_cell_length_c   5.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.136
_cell_formula_units_Z   8
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
  Zr  Zr0  1  0.138  0.541  0.841  1.0
  Zr  Zr1  1  0.138  0.959  0.341  1.0
  Zr  Zr2  1  0.362  0.459  0.341  1.0
  Zr  Zr3  1  0.362  0.041  0.841  1.0
  Zr  Zr4  1  0.638  0.959  0.159  1.0
  Zr  Zr5  1  0.638  0.541  0.659  1.0
  Zr  Zr6  1  0.862  0.459  0.159  1.0
  Zr  Zr7  1  0.862  0.041  0.659  1.0
  O  O8  1  0.034  0.835  0.670  1.0
  O  O9  1  0.034  0.665  0.170  1.0
  O  O10  1  0.225  0.249  0.087  1.0
  O  O11  1  0.225  0.251  0.587  1.0
  O  O12  1  0.275  0.749  0.087  1.0
  O  O13  1  0.275  0.751  0.587  1.0
  O  O14  1  0.466  0.165  0.170  1.0
  O  O15  1  0.466  0.335  0.670  1.0
  O  O16  1  0.534  0.665  0.330  1.0
  O  O17  1  0.534  0.835  0.830  1.0
  O  O18  1  0.725  0.249  0.413  1.0
  O  O19  1  0.725  0.251  0.913  1.0
  O  O20  1  0.775  0.749  0.413  1.0
  O  O21  1  0.775  0.751  0.913  1.0
  O  O22  1  0.966  0.165  0.330  1.0
  O  O23  1  0.966  0.335  0.830  1.0
[/CIF]
.
The structure described by ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Zr(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing ZrO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.216
_cell_length_b   5.219
_cell_length_c   5.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.136
_cell_formula_units_Z   8
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
  Zr  Zr0  1  0.138  0.541  0.841  1.0
  Zr  Zr1  1  0.138  0.959  0.341  1.0
  Zr  Zr2  1  0.362  0.459  0.341  1.0
  Zr  Zr3  1  0.362  0.041  0.841  1.0
  Zr  Zr4  1  0.638  0.959  0.159  1.0
  Zr  Zr5  1  0.638  0.541  0.659  1.0
  Zr  Zr6  1  0.862  0.459  0.159  1.0
  Zr  Zr7  1  0.862  0.041  0.659  1.0
  O  O8  1  0.034  0.835  0.670  1.0
  O  O9  1  0.034  0.665  0.170  1.0
  O  O10  1  0.225  0.249  0.087  1.0
  O  O11  1  0.225  0.251  0.587  1.0
  O  O12  1  0.275  0.749  0.087  1.0
  O  O13  1  0.275  0.751  0.587  1.0
  O  O14  1  0.466  0.165  0.170  1.0
  O  O15  1  0.466  0.335  0.670  1.0
  O  O16  1  0.534  0.665  0.330  1.0
  O  O17  1  0.534  0.835  0.830  1.0
  O  O18  1  0.725  0.249  0.413  1.0
  O  O19  1  0.725  0.251  0.913  1.0
  O  O20  1  0.775  0.749  0.413  1.0
  O  O21  1  0.775  0.751  0.913  1.0
  O  O22  1  0.966  0.165  0.330  1.0
  O  O23  1  0.966  0.335  0.830  1.0
[/CIF]
.