data_Zn(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(CoO2)2
_chemical_formula_sum   'Zn2 Co4 O8'
_cell_volume   137.59
_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  0.46  0.77  0.43  1.0
  Zn  Zn1  1  0.46  0.23  0.28  1.0
  Co  Co2  1  0.46  0.72  0.54  1.0
  Co  Co3  1  0.46  0.28  0.17  1.0
  Co  Co4  1  0.46  0.72  0.02  1.0
  Co  Co5  1  0.46  0.28  0.69  1.0
  O  O6  1  0.46  0.18  0.61  1.0
  O  O7  1  0.46  0.82  0.1  1.0
  O  O8  1  0.46  0.82  0.76  1.0
  O  O9  1  0.46  0.18  0.95  1.0
  O  O10  1  0.46  0.6  0.28  1.0
  O  O11  1  0.46  0.4  0.43  1.0
  O  O12  1  0.0  0.0  0.85  1.0
  O  O13  1  0.0  0.0  0.0  1.0

data_Zn(CoO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.05
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(CoO2)2
_chemical_formula_sum   'Zn2 Co4 O8'
_cell_volume   137.59
_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  0.23  0.7  0.43  1.0
  Zn  Zn1  1  0.77  0.23  0.28  1.0
  Co  Co2  1  0.28  0.74  0.02  1.0
  Co  Co3  1  0.28  0.74  0.54  1.0
  Co  Co4  1  0.72  0.19  0.17  1.0
  Co  Co5  1  0.72  0.19  0.69  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.0  0.0  0.85  1.0
  O  O8  1  0.18  0.65  0.1  1.0
  O  O9  1  0.18  0.65  0.76  1.0
  O  O10  1  0.4  0.86  0.28  1.0
  O  O11  1  0.6  0.07  0.43  1.0
  O  O12  1  0.82  0.28  0.61  1.0
  O  O13  1  0.82  0.28  0.95  1.0

Zn Zn Co Co Co Co O O O O O O O O
ZnCo2O4 crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Zn(1), one O(1), one O(3), and one O(6) atom. The Co(1)-Zn(1) bond length is 1.12 Å. The Co(1)-O(1) bond length is 2.42 Å. The Co(1)-O(3) bond length is 2.18 Å. The Co(1)-O(6) bond length is 1.97 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Zn(2), one O(4), one O(5), and two equivalent O(8) atoms. The Co(2)-Zn(2) bond length is 1.12 Å. The Co(2)-O(4) bond length is 2.18 Å. The Co(2)-O(5) bond length is 1.97 Å. There is one shorter (2.16 Å) and one longer (2.63 Å) Co(2)-O(8) bond length. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one O(2), one O(4), and two equivalent O(8) atoms. The Co(3)-O(2) bond length is 0.86 Å. The Co(3)-O(4) bond length is 2.42 Å. There is one shorter (1.74 Å) and one longer (2.15 Å) Co(3)-O(8) bond length. In the fourth Co site, Co(4) is bonded in a single-bond geometry to one O(1), one O(4), and one O(7) atom. The Co(4)-O(1) bond length is 0.86 Å. The Co(4)-O(4) bond length is 2.61 Å. The Co(4)-O(7) bond length is 2.16 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Co(1), one O(5), and one O(6) atom. The Zn(1)-O(5) bond length is 1.65 Å. The Zn(1)-O(6) bond length is 1.87 Å. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one Co(2), one O(5), and one O(6) atom. The Zn(2)-O(5) bond length is 1.87 Å. The Zn(2)-O(6) bond length is 1.65 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Co(1) and one Co(4) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Co(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Co(2), one Co(3), one Co(4), one O(7), and one O(8) atom. The O(4)-O(7) bond length is 1.91 Å. The O(4)-O(8) bond length is 1.74 Å. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Co(2), one Zn(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Co(1), one Zn(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Co(4), one O(4), and one O(8) atom. The O(7)-O(8) bond length is 1.42 Å. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Co(2), two equivalent Co(3), one O(4), and one O(7) atom.