The material structure described by ZrO2(CoO) is Ilmenite structured and crystallizes in the triclinic P-1 space group. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZrO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Zr(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with nine equivalent Zr(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Co2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Co2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Zr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Co2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.420
_cell_length_c   5.674
_cell_angle_alpha   61.564
_cell_angle_beta   62.003
_cell_angle_gamma   60.289
_symmetry_Int_Tables_number   1
_cell_volume   120.531
_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
  Co  Co0  1  0.356  0.351  0.942  1.0
  Co  Co1  1  0.644  0.649  0.058  1.0
  O  O2  1  0.450  0.755  0.747  1.0
  O  O3  1  0.755  0.051  0.746  1.0
  O  O4  1  0.049  0.448  0.748  1.0
  O  O5  1  0.951  0.552  0.252  1.0
  O  O6  1  0.245  0.949  0.254  1.0
  O  O7  1  0.550  0.245  0.253  1.0
  Zr  Zr8  1  0.142  0.142  0.575  1.0
  Zr  Zr9  1  0.858  0.858  0.425  1.0
[/CIF]
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The material structure described by ZrO2(CoO) is Ilmenite structured and crystallizes in the triclinic P-1 space group. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZrO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Zr(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with nine equivalent Zr(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Co2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Co2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Zr(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Co2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.420
_cell_length_c   5.674
_cell_angle_alpha   61.564
_cell_angle_beta   62.003
_cell_angle_gamma   60.289
_symmetry_Int_Tables_number   1
_cell_volume   120.531
_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
  Co  Co0  1  0.356  0.351  0.942  1.0
  Co  Co1  1  0.644  0.649  0.058  1.0
  O  O2  1  0.450  0.755  0.747  1.0
  O  O3  1  0.755  0.051  0.746  1.0
  O  O4  1  0.049  0.448  0.748  1.0
  O  O5  1  0.951  0.552  0.252  1.0
  O  O6  1  0.245  0.949  0.254  1.0
  O  O7  1  0.550  0.245  0.253  1.0
  Zr  Zr8  1  0.142  0.142  0.575  1.0
  Zr  Zr9  1  0.858  0.858  0.425  1.0
[/CIF]
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