The structure described by ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to three equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing ZrO7 hexagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   7.666
_cell_length_c   3.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.411
_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
  Zr  Zr0  1  0.144  0.830  0.250  1.0
  Zr  Zr1  1  0.356  0.330  0.250  1.0
  Zr  Zr2  1  0.644  0.670  0.750  1.0
  Zr  Zr3  1  0.856  0.170  0.750  1.0
  O  O4  1  0.108  0.110  0.250  1.0
  O  O5  1  0.131  0.357  0.750  1.0
  O  O6  1  0.369  0.857  0.750  1.0
  O  O7  1  0.392  0.610  0.250  1.0
  O  O8  1  0.608  0.390  0.750  1.0
  O  O9  1  0.631  0.143  0.250  1.0
  O  O10  1  0.869  0.643  0.250  1.0
  O  O11  1  0.892  0.890  0.750  1.0
[/CIF]
.
The structure described by ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to three equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing ZrO7 hexagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   7.666
_cell_length_c   3.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.411
_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
  Zr  Zr0  1  0.144  0.830  0.250  1.0
  Zr  Zr1  1  0.356  0.330  0.250  1.0
  Zr  Zr2  1  0.644  0.670  0.750  1.0
  Zr  Zr3  1  0.856  0.170  0.750  1.0
  O  O4  1  0.108  0.110  0.250  1.0
  O  O5  1  0.131  0.357  0.750  1.0
  O  O6  1  0.369  0.857  0.750  1.0
  O  O7  1  0.392  0.610  0.250  1.0
  O  O8  1  0.608  0.390  0.750  1.0
  O  O9  1  0.631  0.143  0.250  1.0
  O  O10  1  0.869  0.643  0.250  1.0
  O  O11  1  0.892  0.890  0.750  1.0
[/CIF]
.