The compound described by ZnCo2O4 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second Co site, Co(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Co(1), two equivalent Co(2), and two equivalent Zn(1) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with five equivalent O(4)Zn2Co2 tetrahedra, corners with two equivalent O(2)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Co2 tetrahedra, edges with two equivalent O(1)Zn2Co3 trigonal bipyramids, and edges with three equivalent O(2)Zn2Co3 trigonal bipyramids. In the second O site, O(2) is bonded to one Co(2), two equivalent Co(1), and two equivalent Zn(1) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with five equivalent O(4)Zn2Co2 tetrahedra, corners with two equivalent O(1)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Co2 tetrahedra, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids, and edges with three equivalent O(1)Zn2Co3 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to four equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Co(1), one Co(2), and two equivalent Zn(1) atoms to form OZn2Co2 tetrahedra that share corners with two equivalent O(4)Zn2Co2 tetrahedra, corners with five equivalent O(1)Zn2Co3 trigonal bipyramids, corners with five equivalent O(2)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(1)Zn2Co3 trigonal bipyramid, and  an edgeedge with one O(2)Zn2Co3 trigonal bipyramid. In the fifth O site, O(5) is bonded in a square co-planar geometry to four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.927
_cell_length_b   9.691
_cell_length_c   9.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.368
_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  0.735  0.612  0.252  1.0
  Zn  Zn1  1  0.735  0.388  0.748  1.0
  Zn  Zn2  1  0.265  0.112  0.248  1.0
  Zn  Zn3  1  0.265  0.888  0.752  1.0
  Co  Co4  1  0.243  0.366  0.428  1.0
  Co  Co5  1  0.246  0.631  0.928  1.0
  Co  Co6  1  0.757  0.134  0.928  1.0
  Co  Co7  1  0.243  0.634  0.572  1.0
  Co  Co8  1  0.754  0.131  0.572  1.0
  Co  Co9  1  0.246  0.369  0.072  1.0
  Co  Co10  1  0.757  0.866  0.072  1.0
  Co  Co11  1  0.754  0.869  0.428  1.0
  O  O12  1  0.747  0.225  0.113  1.0
  O  O13  1  0.249  0.276  0.888  1.0
  O  O14  1  0.744  0.500  0.000  1.0
  O  O15  1  0.249  0.724  0.112  1.0
  O  O16  1  0.253  0.725  0.387  1.0
  O  O17  1  0.233  0.542  0.750  1.0
  O  O18  1  0.747  0.775  0.887  1.0
  O  O19  1  0.767  0.042  0.750  1.0
  O  O20  1  0.742  0.500  0.500  1.0
  O  O21  1  0.258  0.000  0.000  1.0
  O  O22  1  0.751  0.224  0.388  1.0
  O  O23  1  0.767  0.958  0.250  1.0
  O  O24  1  0.233  0.458  0.250  1.0
  O  O25  1  0.256  0.000  0.500  1.0
  O  O26  1  0.751  0.776  0.612  1.0
  O  O27  1  0.253  0.275  0.613  1.0
[/CIF]
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The compound described by ZnCo2O4 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second Co site, Co(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Co(1), two equivalent Co(2), and two equivalent Zn(1) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with five equivalent O(4)Zn2Co2 tetrahedra, corners with two equivalent O(2)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Co2 tetrahedra, edges with two equivalent O(1)Zn2Co3 trigonal bipyramids, and edges with three equivalent O(2)Zn2Co3 trigonal bipyramids. In the second O site, O(2) is bonded to one Co(2), two equivalent Co(1), and two equivalent Zn(1) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with five equivalent O(4)Zn2Co2 tetrahedra, corners with two equivalent O(1)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Co2 tetrahedra, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids, and edges with three equivalent O(1)Zn2Co3 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to four equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Co(1), one Co(2), and two equivalent Zn(1) atoms to form OZn2Co2 tetrahedra that share corners with two equivalent O(4)Zn2Co2 tetrahedra, corners with five equivalent O(1)Zn2Co3 trigonal bipyramids, corners with five equivalent O(2)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(1)Zn2Co3 trigonal bipyramid, and  an edgeedge with one O(2)Zn2Co3 trigonal bipyramid. In the fifth O site, O(5) is bonded in a square co-planar geometry to four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.927
_cell_length_b   9.691
_cell_length_c   9.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.368
_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  0.735  0.612  0.252  1.0
  Zn  Zn1  1  0.735  0.388  0.748  1.0
  Zn  Zn2  1  0.265  0.112  0.248  1.0
  Zn  Zn3  1  0.265  0.888  0.752  1.0
  Co  Co4  1  0.243  0.366  0.428  1.0
  Co  Co5  1  0.246  0.631  0.928  1.0
  Co  Co6  1  0.757  0.134  0.928  1.0
  Co  Co7  1  0.243  0.634  0.572  1.0
  Co  Co8  1  0.754  0.131  0.572  1.0
  Co  Co9  1  0.246  0.369  0.072  1.0
  Co  Co10  1  0.757  0.866  0.072  1.0
  Co  Co11  1  0.754  0.869  0.428  1.0
  O  O12  1  0.747  0.225  0.113  1.0
  O  O13  1  0.249  0.276  0.888  1.0
  O  O14  1  0.744  0.500  0.000  1.0
  O  O15  1  0.249  0.724  0.112  1.0
  O  O16  1  0.253  0.725  0.387  1.0
  O  O17  1  0.233  0.542  0.750  1.0
  O  O18  1  0.747  0.775  0.887  1.0
  O  O19  1  0.767  0.042  0.750  1.0
  O  O20  1  0.742  0.500  0.500  1.0
  O  O21  1  0.258  0.000  0.000  1.0
  O  O22  1  0.751  0.224  0.388  1.0
  O  O23  1  0.767  0.958  0.250  1.0
  O  O24  1  0.233  0.458  0.250  1.0
  O  O25  1  0.256  0.000  0.500  1.0
  O  O26  1  0.751  0.776  0.612  1.0
  O  O27  1  0.253  0.275  0.613  1.0
[/CIF]
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