The material structure described by ZrO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Zr site, Zr(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zr(1) and two equivalent Zr(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zr(2) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.287
_cell_length_b   5.048
_cell_length_c   20.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.250
_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  0.250  0.075  0.569  1.0
  Zr  Zr1  1  0.750  0.576  0.689  1.0
  Zr  Zr2  1  0.250  0.076  0.811  1.0
  Zr  Zr3  1  0.750  0.575  0.931  1.0
  Zr  Zr4  1  0.250  0.425  0.069  1.0
  Zr  Zr5  1  0.750  0.924  0.189  1.0
  Zr  Zr6  1  0.250  0.424  0.311  1.0
  Zr  Zr7  1  0.750  0.925  0.431  1.0
  O  O8  1  0.750  0.207  0.513  1.0
  O  O9  1  0.250  0.393  0.638  1.0
  O  O10  1  0.750  0.884  0.619  1.0
  O  O11  1  0.750  0.256  0.761  1.0
  O  O12  1  0.250  0.756  0.739  1.0
  O  O13  1  0.250  0.384  0.881  1.0
  O  O14  1  0.750  0.893  0.862  1.0
  O  O15  1  0.250  0.707  0.987  1.0
  O  O16  1  0.750  0.293  0.013  1.0
  O  O17  1  0.250  0.107  0.138  1.0
  O  O18  1  0.750  0.616  0.119  1.0
  O  O19  1  0.750  0.244  0.261  1.0
  O  O20  1  0.250  0.744  0.239  1.0
  O  O21  1  0.250  0.116  0.381  1.0
  O  O22  1  0.750  0.607  0.362  1.0
  O  O23  1  0.250  0.793  0.487  1.0
[/CIF]
.
The material structure described by ZrO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Zr site, Zr(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zr(1) and two equivalent Zr(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zr(2) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.287
_cell_length_b   5.048
_cell_length_c   20.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.250
_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  0.250  0.075  0.569  1.0
  Zr  Zr1  1  0.750  0.576  0.689  1.0
  Zr  Zr2  1  0.250  0.076  0.811  1.0
  Zr  Zr3  1  0.750  0.575  0.931  1.0
  Zr  Zr4  1  0.250  0.425  0.069  1.0
  Zr  Zr5  1  0.750  0.924  0.189  1.0
  Zr  Zr6  1  0.250  0.424  0.311  1.0
  Zr  Zr7  1  0.750  0.925  0.431  1.0
  O  O8  1  0.750  0.207  0.513  1.0
  O  O9  1  0.250  0.393  0.638  1.0
  O  O10  1  0.750  0.884  0.619  1.0
  O  O11  1  0.750  0.256  0.761  1.0
  O  O12  1  0.250  0.756  0.739  1.0
  O  O13  1  0.250  0.384  0.881  1.0
  O  O14  1  0.750  0.893  0.862  1.0
  O  O15  1  0.250  0.707  0.987  1.0
  O  O16  1  0.750  0.293  0.013  1.0
  O  O17  1  0.250  0.107  0.138  1.0
  O  O18  1  0.750  0.616  0.119  1.0
  O  O19  1  0.750  0.244  0.261  1.0
  O  O20  1  0.250  0.744  0.239  1.0
  O  O21  1  0.250  0.116  0.381  1.0
  O  O22  1  0.750  0.607  0.362  1.0
  O  O23  1  0.250  0.793  0.487  1.0
[/CIF]
.