The material described by Co3Zn2O8 crystallizes in the hexagonal P6_3mc space group. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Zn site, Zn(2) is bonded to one O(4) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Co(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Co2 tetrahedra that share corners with two equivalent O(2)Zn2Co2 tetrahedra,  a cornercorner with one O(4)ZnCo3 trigonal pyramid, edges with two equivalent O(2)Zn2Co2 tetrahedra, and  an edgeedge with one O(4)ZnCo3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Co(1) and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OZnCo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Co3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   5.832
_cell_length_c   9.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   279.019
_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  0.667  0.333  0.026  1.0
  Zn  Zn1  1  0.333  0.667  0.526  1.0
  Zn  Zn2  1  0.667  0.333  0.425  1.0
  Zn  Zn3  1  0.333  0.667  0.925  1.0
  Co  Co4  1  0.673  0.837  0.243  1.0
  Co  Co5  1  0.837  0.163  0.743  1.0
  Co  Co6  1  0.163  0.327  0.243  1.0
  Co  Co7  1  0.837  0.673  0.743  1.0
  Co  Co8  1  0.327  0.163  0.743  1.0
  Co  Co9  1  0.163  0.837  0.243  1.0
  O  O10  1  0.838  0.162  0.145  1.0
  O  O11  1  0.677  0.838  0.645  1.0
  O  O12  1  0.162  0.323  0.645  1.0
  O  O13  1  0.838  0.677  0.145  1.0
  O  O14  1  0.323  0.162  0.145  1.0
  O  O15  1  0.162  0.838  0.645  1.0
  O  O16  1  0.519  0.481  0.863  1.0
  O  O17  1  0.037  0.519  0.363  1.0
  O  O18  1  0.481  0.963  0.363  1.0
  O  O19  1  0.519  0.037  0.863  1.0
  O  O20  1  0.000  0.000  0.355  1.0
  O  O21  1  0.000  0.000  0.855  1.0
  O  O22  1  0.333  0.667  0.133  1.0
  O  O23  1  0.963  0.481  0.863  1.0
  O  O24  1  0.481  0.519  0.363  1.0
  O  O25  1  0.667  0.333  0.633  1.0
[/CIF]
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The material described by Co3Zn2O8 crystallizes in the hexagonal P6_3mc space group. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Zn site, Zn(2) is bonded to one O(4) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Co(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Co2 tetrahedra that share corners with two equivalent O(2)Zn2Co2 tetrahedra,  a cornercorner with one O(4)ZnCo3 trigonal pyramid, edges with two equivalent O(2)Zn2Co2 tetrahedra, and  an edgeedge with one O(4)ZnCo3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Co(1) and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OZnCo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Co3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   5.832
_cell_length_c   9.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   279.019
_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  0.667  0.333  0.026  1.0
  Zn  Zn1  1  0.333  0.667  0.526  1.0
  Zn  Zn2  1  0.667  0.333  0.425  1.0
  Zn  Zn3  1  0.333  0.667  0.925  1.0
  Co  Co4  1  0.673  0.837  0.243  1.0
  Co  Co5  1  0.837  0.163  0.743  1.0
  Co  Co6  1  0.163  0.327  0.243  1.0
  Co  Co7  1  0.837  0.673  0.743  1.0
  Co  Co8  1  0.327  0.163  0.743  1.0
  Co  Co9  1  0.163  0.837  0.243  1.0
  O  O10  1  0.838  0.162  0.145  1.0
  O  O11  1  0.677  0.838  0.645  1.0
  O  O12  1  0.162  0.323  0.645  1.0
  O  O13  1  0.838  0.677  0.145  1.0
  O  O14  1  0.323  0.162  0.145  1.0
  O  O15  1  0.162  0.838  0.645  1.0
  O  O16  1  0.519  0.481  0.863  1.0
  O  O17  1  0.037  0.519  0.363  1.0
  O  O18  1  0.481  0.963  0.363  1.0
  O  O19  1  0.519  0.037  0.863  1.0
  O  O20  1  0.000  0.000  0.355  1.0
  O  O21  1  0.000  0.000  0.855  1.0
  O  O22  1  0.333  0.667  0.133  1.0
  O  O23  1  0.963  0.481  0.863  1.0
  O  O24  1  0.481  0.519  0.363  1.0
  O  O25  1  0.667  0.333  0.633  1.0
[/CIF]
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