The structure described by ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar 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 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   3.475
_cell_length_b   10.374
_cell_length_c   3.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.729
_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  0.250  0.119  0.250  1.0
  Zr  Zr1  1  0.250  0.619  0.250  1.0
  Zr  Zr2  1  0.750  0.881  0.750  1.0
  Zr  Zr3  1  0.750  0.381  0.750  1.0
  O  O4  1  0.250  0.784  0.599  1.0
  O  O5  1  0.250  0.284  0.901  1.0
  O  O6  1  0.250  0.527  0.740  1.0
  O  O7  1  0.250  0.027  0.760  1.0
  O  O8  1  0.750  0.473  0.260  1.0
  O  O9  1  0.750  0.973  0.240  1.0
  O  O10  1  0.750  0.216  0.401  1.0
  O  O11  1  0.750  0.716  0.099  1.0
[/CIF]
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The structure described by ZrO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar 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 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   3.475
_cell_length_b   10.374
_cell_length_c   3.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.729
_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  0.250  0.119  0.250  1.0
  Zr  Zr1  1  0.250  0.619  0.250  1.0
  Zr  Zr2  1  0.750  0.881  0.750  1.0
  Zr  Zr3  1  0.750  0.381  0.750  1.0
  O  O4  1  0.250  0.784  0.599  1.0
  O  O5  1  0.250  0.284  0.901  1.0
  O  O6  1  0.250  0.527  0.740  1.0
  O  O7  1  0.250  0.027  0.760  1.0
  O  O8  1  0.750  0.473  0.260  1.0
  O  O9  1  0.750  0.973  0.240  1.0
  O  O10  1  0.750  0.216  0.401  1.0
  O  O11  1  0.750  0.716  0.099  1.0
[/CIF]
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