The material structure described by ZnCo2O4 crystallizes in the orthorhombic Cmcm space group. Co(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Co(1) and two equivalent Zn(1) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with five equivalent O(2)Zn2Co2 tetrahedra, corners with two equivalent O(1)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(2)Zn2Co2 tetrahedra, and edges with five equivalent O(1)Zn2Co3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Co(1) and two equivalent Zn(1) atoms to form OZn2Co2 tetrahedra that share corners with two equivalent O(2)Zn2Co2 tetrahedra, corners with ten equivalent O(1)Zn2Co3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Co3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Zn(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.795
_cell_length_b   4.795
_cell_length_c   9.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.037
_symmetry_Int_Tables_number   1
_cell_volume   120.997
_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
  Zn  Zn0  1  0.608  0.392  0.750  1.0
  Zn  Zn1  1  0.392  0.608  0.250  1.0
  Co  Co2  1  0.135  0.865  0.069  1.0
  Co  Co3  1  0.865  0.135  0.931  1.0
  Co  Co4  1  0.135  0.865  0.431  1.0
  Co  Co5  1  0.865  0.135  0.569  1.0
  O  O6  1  0.768  0.232  0.391  1.0
  O  O7  1  0.232  0.768  0.609  1.0
  O  O8  1  0.232  0.768  0.891  1.0
  O  O9  1  0.768  0.232  0.109  1.0
  O  O10  1  0.044  0.956  0.250  1.0
  O  O11  1  0.956  0.044  0.750  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by ZnCo2O4 crystallizes in the orthorhombic Cmcm space group. Co(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Co(1) and two equivalent Zn(1) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with five equivalent O(2)Zn2Co2 tetrahedra, corners with two equivalent O(1)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(2)Zn2Co2 tetrahedra, and edges with five equivalent O(1)Zn2Co3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Co(1) and two equivalent Zn(1) atoms to form OZn2Co2 tetrahedra that share corners with two equivalent O(2)Zn2Co2 tetrahedra, corners with ten equivalent O(1)Zn2Co3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Co3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Zn(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.795
_cell_length_b   4.795
_cell_length_c   9.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.037
_symmetry_Int_Tables_number   1
_cell_volume   120.997
_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
  Zn  Zn0  1  0.608  0.392  0.750  1.0
  Zn  Zn1  1  0.392  0.608  0.250  1.0
  Co  Co2  1  0.135  0.865  0.069  1.0
  Co  Co3  1  0.865  0.135  0.931  1.0
  Co  Co4  1  0.135  0.865  0.431  1.0
  Co  Co5  1  0.865  0.135  0.569  1.0
  O  O6  1  0.768  0.232  0.391  1.0
  O  O7  1  0.232  0.768  0.609  1.0
  O  O8  1  0.232  0.768  0.891  1.0
  O  O9  1  0.768  0.232  0.109  1.0
  O  O10  1  0.044  0.956  0.250  1.0
  O  O11  1  0.956  0.044  0.750  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
[/CIF]
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