The crystal structure described by ZrO2 crystallizes in the tetragonal P4/n space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(1), and three equivalent O(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(2) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-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   8.079
_cell_length_b   8.079
_cell_length_c   5.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.312
_cell_formula_units_Z   10
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  0.075  0.882  0.754  1.0
  Zr  Zr1  1  0.118  0.575  0.246  1.0
  Zr  Zr2  1  0.250  0.250  0.819  1.0
  Zr  Zr3  1  0.382  0.925  0.246  1.0
  Zr  Zr4  1  0.425  0.618  0.754  1.0
  Zr  Zr5  1  0.575  0.382  0.246  1.0
  Zr  Zr6  1  0.618  0.075  0.754  1.0
  Zr  Zr7  1  0.750  0.750  0.181  1.0
  Zr  Zr8  1  0.882  0.425  0.754  1.0
  Zr  Zr9  1  0.925  0.118  0.246  1.0
  O  O10  1  0.046  0.141  0.612  1.0
  O  O11  1  0.043  0.339  0.076  1.0
  O  O12  1  0.141  0.454  0.612  1.0
  O  O13  1  0.161  0.043  0.076  1.0
  O  O14  1  0.250  0.750  0.500  1.0
  O  O15  1  0.250  0.750  0.000  1.0
  O  O16  1  0.339  0.457  0.076  1.0
  O  O17  1  0.359  0.046  0.612  1.0
  O  O18  1  0.457  0.161  0.076  1.0
  O  O19  1  0.454  0.359  0.612  1.0
  O  O20  1  0.546  0.641  0.388  1.0
  O  O21  1  0.543  0.839  0.924  1.0
  O  O22  1  0.641  0.954  0.388  1.0
  O  O23  1  0.661  0.543  0.924  1.0
  O  O24  1  0.750  0.250  0.500  1.0
  O  O25  1  0.750  0.250  0.000  1.0
  O  O26  1  0.839  0.957  0.924  1.0
  O  O27  1  0.859  0.546  0.388  1.0
  O  O28  1  0.957  0.661  0.924  1.0
  O  O29  1  0.954  0.859  0.388  1.0
[/CIF]
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The crystal structure described by ZrO2 crystallizes in the tetragonal P4/n space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(1), and three equivalent O(2) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(2) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-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   8.079
_cell_length_b   8.079
_cell_length_c   5.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.312
_cell_formula_units_Z   10
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  0.075  0.882  0.754  1.0
  Zr  Zr1  1  0.118  0.575  0.246  1.0
  Zr  Zr2  1  0.250  0.250  0.819  1.0
  Zr  Zr3  1  0.382  0.925  0.246  1.0
  Zr  Zr4  1  0.425  0.618  0.754  1.0
  Zr  Zr5  1  0.575  0.382  0.246  1.0
  Zr  Zr6  1  0.618  0.075  0.754  1.0
  Zr  Zr7  1  0.750  0.750  0.181  1.0
  Zr  Zr8  1  0.882  0.425  0.754  1.0
  Zr  Zr9  1  0.925  0.118  0.246  1.0
  O  O10  1  0.046  0.141  0.612  1.0
  O  O11  1  0.043  0.339  0.076  1.0
  O  O12  1  0.141  0.454  0.612  1.0
  O  O13  1  0.161  0.043  0.076  1.0
  O  O14  1  0.250  0.750  0.500  1.0
  O  O15  1  0.250  0.750  0.000  1.0
  O  O16  1  0.339  0.457  0.076  1.0
  O  O17  1  0.359  0.046  0.612  1.0
  O  O18  1  0.457  0.161  0.076  1.0
  O  O19  1  0.454  0.359  0.612  1.0
  O  O20  1  0.546  0.641  0.388  1.0
  O  O21  1  0.543  0.839  0.924  1.0
  O  O22  1  0.641  0.954  0.388  1.0
  O  O23  1  0.661  0.543  0.924  1.0
  O  O24  1  0.750  0.250  0.500  1.0
  O  O25  1  0.750  0.250  0.000  1.0
  O  O26  1  0.839  0.957  0.924  1.0
  O  O27  1  0.859  0.546  0.388  1.0
  O  O28  1  0.957  0.661  0.924  1.0
  O  O29  1  0.954  0.859  0.388  1.0
[/CIF]
.