The crystal structure described by ZnIn2O4 crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second In site, In(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zn(1), one In(2), and two equivalent In(1) atoms. In the second O site, O(2) is bonded to two equivalent Zn(1) and three equivalent In(2) atoms to form distorted OZn2In3 trigonal bipyramids that share corners with six equivalent O(3)ZnIn3 tetrahedra, corners with two equivalent O(4)Zn2In3 trigonal bipyramids,  an edgeedge with one O(3)ZnIn3 tetrahedra,  an edgeedge with one O(4)Zn2In3 trigonal bipyramid, and edges with four equivalent O(2)Zn2In3 trigonal bipyramids. In the third O site, O(3) is bonded to one Zn(1), one In(1), and two equivalent In(2) atoms to form OZnIn3 tetrahedra that share corners with two equivalent O(3)ZnIn3 tetrahedra,  a cornercorner with one O(4)Zn2In3 trigonal bipyramid, corners with six equivalent O(2)Zn2In3 trigonal bipyramids,  an edgeedge with one O(2)Zn2In3 trigonal bipyramid, and edges with two equivalent O(4)Zn2In3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Zn(1) and three equivalent In(1) atoms to form distorted OZn2In3 trigonal bipyramids that share  a cornercorner with one O(3)ZnIn3 tetrahedra, corners with two equivalent O(2)Zn2In3 trigonal bipyramids, edges with two equivalent O(3)ZnIn3 tetrahedra,  an edgeedge with one O(2)Zn2In3 trigonal bipyramid, and edges with four equivalent O(4)Zn2In3 trigonal bipyramids. is represented by the CIF file [CIF]
data_ZnIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.187
_cell_length_b   9.895
_cell_length_c   11.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.289
_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  0.250  0.228  0.143  1.0
  Zn  Zn1  1  0.250  0.728  0.357  1.0
  Zn  Zn2  1  0.750  0.772  0.857  1.0
  Zn  Zn3  1  0.750  0.272  0.643  1.0
  In  In4  1  0.250  0.931  0.123  1.0
  In  In5  1  0.250  0.431  0.377  1.0
  In  In6  1  0.750  0.069  0.877  1.0
  In  In7  1  0.750  0.569  0.623  1.0
  In  In8  1  0.250  0.906  0.603  1.0
  In  In9  1  0.250  0.406  0.897  1.0
  In  In10  1  0.750  0.094  0.397  1.0
  In  In11  1  0.750  0.594  0.103  1.0
  O  O12  1  0.250  0.698  0.685  1.0
  O  O13  1  0.250  0.198  0.815  1.0
  O  O14  1  0.750  0.302  0.315  1.0
  O  O15  1  0.750  0.802  0.185  1.0
  O  O16  1  0.250  0.623  0.960  1.0
  O  O17  1  0.250  0.123  0.540  1.0
  O  O18  1  0.750  0.377  0.040  1.0
  O  O19  1  0.750  0.877  0.460  1.0
  O  O20  1  0.250  0.069  0.271  1.0
  O  O21  1  0.250  0.569  0.229  1.0
  O  O22  1  0.750  0.931  0.729  1.0
  O  O23  1  0.750  0.431  0.771  1.0
  O  O24  1  0.250  0.902  0.932  1.0
  O  O25  1  0.250  0.402  0.568  1.0
  O  O26  1  0.750  0.098  0.068  1.0
  O  O27  1  0.750  0.598  0.432  1.0
[/CIF]
.
The crystal structure described by ZnIn2O4 crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second In site, In(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zn(1), one In(2), and two equivalent In(1) atoms. In the second O site, O(2) is bonded to two equivalent Zn(1) and three equivalent In(2) atoms to form distorted OZn2In3 trigonal bipyramids that share corners with six equivalent O(3)ZnIn3 tetrahedra, corners with two equivalent O(4)Zn2In3 trigonal bipyramids,  an edgeedge with one O(3)ZnIn3 tetrahedra,  an edgeedge with one O(4)Zn2In3 trigonal bipyramid, and edges with four equivalent O(2)Zn2In3 trigonal bipyramids. In the third O site, O(3) is bonded to one Zn(1), one In(1), and two equivalent In(2) atoms to form OZnIn3 tetrahedra that share corners with two equivalent O(3)ZnIn3 tetrahedra,  a cornercorner with one O(4)Zn2In3 trigonal bipyramid, corners with six equivalent O(2)Zn2In3 trigonal bipyramids,  an edgeedge with one O(2)Zn2In3 trigonal bipyramid, and edges with two equivalent O(4)Zn2In3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Zn(1) and three equivalent In(1) atoms to form distorted OZn2In3 trigonal bipyramids that share  a cornercorner with one O(3)ZnIn3 tetrahedra, corners with two equivalent O(2)Zn2In3 trigonal bipyramids, edges with two equivalent O(3)ZnIn3 tetrahedra,  an edgeedge with one O(2)Zn2In3 trigonal bipyramid, and edges with four equivalent O(4)Zn2In3 trigonal bipyramids. is represented by the CIF file [CIF]
data_ZnIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.187
_cell_length_b   9.895
_cell_length_c   11.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.289
_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  0.250  0.228  0.143  1.0
  Zn  Zn1  1  0.250  0.728  0.357  1.0
  Zn  Zn2  1  0.750  0.772  0.857  1.0
  Zn  Zn3  1  0.750  0.272  0.643  1.0
  In  In4  1  0.250  0.931  0.123  1.0
  In  In5  1  0.250  0.431  0.377  1.0
  In  In6  1  0.750  0.069  0.877  1.0
  In  In7  1  0.750  0.569  0.623  1.0
  In  In8  1  0.250  0.906  0.603  1.0
  In  In9  1  0.250  0.406  0.897  1.0
  In  In10  1  0.750  0.094  0.397  1.0
  In  In11  1  0.750  0.594  0.103  1.0
  O  O12  1  0.250  0.698  0.685  1.0
  O  O13  1  0.250  0.198  0.815  1.0
  O  O14  1  0.750  0.302  0.315  1.0
  O  O15  1  0.750  0.802  0.185  1.0
  O  O16  1  0.250  0.623  0.960  1.0
  O  O17  1  0.250  0.123  0.540  1.0
  O  O18  1  0.750  0.377  0.040  1.0
  O  O19  1  0.750  0.877  0.460  1.0
  O  O20  1  0.250  0.069  0.271  1.0
  O  O21  1  0.250  0.569  0.229  1.0
  O  O22  1  0.750  0.931  0.729  1.0
  O  O23  1  0.750  0.431  0.771  1.0
  O  O24  1  0.250  0.902  0.932  1.0
  O  O25  1  0.250  0.402  0.568  1.0
  O  O26  1  0.750  0.098  0.068  1.0
  O  O27  1  0.750  0.598  0.432  1.0
[/CIF]
.