The crystal structure described by CoZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 40°. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2Co2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   5.033
_cell_length_c   7.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.562
_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
  Zn  Zn0  1  0.994  0.551  0.750  1.0
  Zn  Zn1  1  0.494  0.949  0.250  1.0
  Zn  Zn2  1  0.506  0.051  0.750  1.0
  Zn  Zn3  1  0.006  0.449  0.250  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.881  0.057  0.250  1.0
  O  O9  1  0.381  0.443  0.750  1.0
  O  O10  1  0.619  0.557  0.250  1.0
  O  O11  1  0.119  0.943  0.750  1.0
  O  O12  1  0.687  0.812  0.936  1.0
  O  O13  1  0.187  0.688  0.064  1.0
  O  O14  1  0.813  0.312  0.564  1.0
  O  O15  1  0.313  0.188  0.436  1.0
  O  O16  1  0.687  0.812  0.564  1.0
  O  O17  1  0.187  0.688  0.436  1.0
  O  O18  1  0.313  0.188  0.064  1.0
  O  O19  1  0.813  0.312  0.936  1.0
[/CIF]
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The crystal structure described by CoZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 40°. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2Co2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   5.033
_cell_length_c   7.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.562
_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
  Zn  Zn0  1  0.994  0.551  0.750  1.0
  Zn  Zn1  1  0.494  0.949  0.250  1.0
  Zn  Zn2  1  0.506  0.051  0.750  1.0
  Zn  Zn3  1  0.006  0.449  0.250  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.881  0.057  0.250  1.0
  O  O9  1  0.381  0.443  0.750  1.0
  O  O10  1  0.619  0.557  0.250  1.0
  O  O11  1  0.119  0.943  0.750  1.0
  O  O12  1  0.687  0.812  0.936  1.0
  O  O13  1  0.187  0.688  0.064  1.0
  O  O14  1  0.813  0.312  0.564  1.0
  O  O15  1  0.313  0.188  0.436  1.0
  O  O16  1  0.687  0.812  0.564  1.0
  O  O17  1  0.187  0.688  0.436  1.0
  O  O18  1  0.313  0.188  0.064  1.0
  O  O19  1  0.813  0.312  0.936  1.0
[/CIF]
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