The material described by ZrO2 crystallizes in the orthorhombic Pnma 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 trigonal non-coplanar geometry to three equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.827
_cell_length_b   4.984
_cell_length_c   5.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.454
_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  0.144  0.417  0.457  1.0
  Zr  Zr1  1  0.356  0.917  0.957  1.0
  Zr  Zr2  1  0.644  0.083  0.457  1.0
  Zr  Zr3  1  0.856  0.583  0.957  1.0
  O  O4  1  0.382  0.223  0.220  1.0
  O  O5  1  0.117  0.723  0.194  1.0
  O  O6  1  0.383  0.223  0.694  1.0
  O  O7  1  0.118  0.723  0.720  1.0
  O  O8  1  0.882  0.277  0.220  1.0
  O  O9  1  0.617  0.777  0.194  1.0
  O  O10  1  0.883  0.277  0.694  1.0
  O  O11  1  0.618  0.777  0.720  1.0
[/CIF]
.
The material described by ZrO2 crystallizes in the orthorhombic Pnma 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 trigonal non-coplanar geometry to three equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_ZrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.827
_cell_length_b   4.984
_cell_length_c   5.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.454
_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  0.144  0.417  0.457  1.0
  Zr  Zr1  1  0.356  0.917  0.957  1.0
  Zr  Zr2  1  0.644  0.083  0.457  1.0
  Zr  Zr3  1  0.856  0.583  0.957  1.0
  O  O4  1  0.382  0.223  0.220  1.0
  O  O5  1  0.117  0.723  0.194  1.0
  O  O6  1  0.383  0.223  0.694  1.0
  O  O7  1  0.118  0.723  0.720  1.0
  O  O8  1  0.882  0.277  0.220  1.0
  O  O9  1  0.617  0.777  0.194  1.0
  O  O10  1  0.883  0.277  0.694  1.0
  O  O11  1  0.618  0.777  0.720  1.0
[/CIF]
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