The crystal structure described by ZrO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbca space group. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.982
_cell_length_b   5.784
_cell_length_c   5.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.651
_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  0.130  0.093  0.851  1.0
  Zr  Zr1  1  0.130  0.407  0.351  1.0
  Zr  Zr2  1  0.370  0.593  0.851  1.0
  Zr  Zr3  1  0.370  0.907  0.351  1.0
  Zr  Zr4  1  0.630  0.093  0.649  1.0
  Zr  Zr5  1  0.630  0.407  0.149  1.0
  Zr  Zr6  1  0.870  0.593  0.649  1.0
  Zr  Zr7  1  0.870  0.907  0.149  1.0
  O  O8  1  0.015  0.154  0.171  1.0
  O  O9  1  0.015  0.346  0.671  1.0
  O  O10  1  0.232  0.124  0.524  1.0
  O  O11  1  0.232  0.376  0.024  1.0
  O  O12  1  0.268  0.624  0.524  1.0
  O  O13  1  0.268  0.876  0.024  1.0
  O  O14  1  0.485  0.846  0.671  1.0
  O  O15  1  0.485  0.654  0.171  1.0
  O  O16  1  0.515  0.154  0.329  1.0
  O  O17  1  0.515  0.346  0.829  1.0
  O  O18  1  0.732  0.124  0.976  1.0
  O  O19  1  0.732  0.376  0.476  1.0
  O  O20  1  0.768  0.624  0.976  1.0
  O  O21  1  0.768  0.876  0.476  1.0
  O  O22  1  0.985  0.654  0.329  1.0
  O  O23  1  0.985  0.846  0.829  1.0
[/CIF]
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The crystal structure described by ZrO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbca space group. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.982
_cell_length_b   5.784
_cell_length_c   5.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.651
_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  0.130  0.093  0.851  1.0
  Zr  Zr1  1  0.130  0.407  0.351  1.0
  Zr  Zr2  1  0.370  0.593  0.851  1.0
  Zr  Zr3  1  0.370  0.907  0.351  1.0
  Zr  Zr4  1  0.630  0.093  0.649  1.0
  Zr  Zr5  1  0.630  0.407  0.149  1.0
  Zr  Zr6  1  0.870  0.593  0.649  1.0
  Zr  Zr7  1  0.870  0.907  0.149  1.0
  O  O8  1  0.015  0.154  0.171  1.0
  O  O9  1  0.015  0.346  0.671  1.0
  O  O10  1  0.232  0.124  0.524  1.0
  O  O11  1  0.232  0.376  0.024  1.0
  O  O12  1  0.268  0.624  0.524  1.0
  O  O13  1  0.268  0.876  0.024  1.0
  O  O14  1  0.485  0.846  0.671  1.0
  O  O15  1  0.485  0.654  0.171  1.0
  O  O16  1  0.515  0.154  0.329  1.0
  O  O17  1  0.515  0.346  0.829  1.0
  O  O18  1  0.732  0.124  0.976  1.0
  O  O19  1  0.732  0.376  0.476  1.0
  O  O20  1  0.768  0.624  0.976  1.0
  O  O21  1  0.768  0.876  0.476  1.0
  O  O22  1  0.985  0.654  0.329  1.0
  O  O23  1  0.985  0.846  0.829  1.0
[/CIF]
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