The structure described by ZrO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrO6 pentagonal pyramids. O(1) is bonded in a distorted T-shaped 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   4.015
_cell_length_b   6.052
_cell_length_c   4.015
_cell_angle_alpha   70.639
_cell_angle_beta   89.993
_cell_angle_gamma   109.363
_symmetry_Int_Tables_number   1
_cell_volume   86.186
_cell_formula_units_Z   2
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  0.000  1.000  0.000  1.0
  Zr  Zr1  1  0.750  0.500  0.750  1.0
  O  O2  1  0.798  0.597  0.201  1.0
  O  O3  1  0.201  0.403  0.798  1.0
  O  O4  1  0.952  0.903  0.549  1.0
  O  O5  1  0.549  0.097  0.952  1.0
[/CIF]
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The structure described by ZrO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing ZrO6 pentagonal pyramids. O(1) is bonded in a distorted T-shaped 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   4.015
_cell_length_b   6.052
_cell_length_c   4.015
_cell_angle_alpha   70.639
_cell_angle_beta   89.993
_cell_angle_gamma   109.363
_symmetry_Int_Tables_number   1
_cell_volume   86.186
_cell_formula_units_Z   2
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  0.000  1.000  0.000  1.0
  Zr  Zr1  1  0.750  0.500  0.750  1.0
  O  O2  1  0.798  0.597  0.201  1.0
  O  O3  1  0.201  0.403  0.798  1.0
  O  O4  1  0.952  0.903  0.549  1.0
  O  O5  1  0.549  0.097  0.952  1.0
[/CIF]
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