The material described by ZnIn2O4 crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second In site, In(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one In(1) and three equivalent In(2) atoms to form distorted OIn4 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with five equivalent O(3)ZnIn3 tetrahedra, corners with five equivalent O(4)ZnIn3 trigonal pyramids, edges with two equivalent O(1)In4 tetrahedra, and  an edgeedge with one O(4)ZnIn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent In(1) atoms. In the third O site, O(3) is bonded to one Zn(1), one In(2), and two equivalent In(1) atoms to form distorted OZnIn3 tetrahedra that share corners with two equivalent O(3)ZnIn3 tetrahedra, corners with five equivalent O(1)In4 tetrahedra,  a cornercorner with one O(4)ZnIn3 trigonal pyramid, and edges with two equivalent O(4)ZnIn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Zn(1), one In(1), and two equivalent In(2) atoms to form distorted OZnIn3 trigonal pyramids that share  a cornercorner with one O(3)ZnIn3 tetrahedra, corners with five equivalent O(1)In4 tetrahedra, corners with two equivalent O(4)ZnIn3 trigonal pyramids,  an edgeedge with one O(1)In4 tetrahedra, and edges with two equivalent O(3)ZnIn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.336
_cell_length_b   10.545
_cell_length_c   10.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.397
_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  0.750  0.131  0.584  1.0
  Zn  Zn1  1  0.250  0.369  0.084  1.0
  Zn  Zn2  1  0.750  0.631  0.916  1.0
  Zn  Zn3  1  0.250  0.869  0.416  1.0
  In  In4  1  0.750  0.138  0.285  1.0
  In  In5  1  0.750  0.112  0.918  1.0
  In  In6  1  0.250  0.388  0.418  1.0
  In  In7  1  0.250  0.362  0.785  1.0
  In  In8  1  0.750  0.638  0.215  1.0
  In  In9  1  0.750  0.612  0.582  1.0
  In  In10  1  0.250  0.888  0.082  1.0
  In  In11  1  0.250  0.862  0.715  1.0
  O  O12  1  0.750  0.024  0.112  1.0
  O  O13  1  0.750  0.960  0.626  1.0
  O  O14  1  0.250  0.272  0.242  1.0
  O  O15  1  0.750  0.260  0.460  1.0
  O  O16  1  0.250  0.240  0.960  1.0
  O  O17  1  0.750  0.228  0.742  1.0
  O  O18  1  0.250  0.540  0.126  1.0
  O  O19  1  0.250  0.476  0.612  1.0
  O  O20  1  0.750  0.524  0.388  1.0
  O  O21  1  0.750  0.460  0.874  1.0
  O  O22  1  0.250  0.772  0.258  1.0
  O  O23  1  0.750  0.760  0.040  1.0
  O  O24  1  0.250  0.740  0.540  1.0
  O  O25  1  0.750  0.728  0.758  1.0
  O  O26  1  0.250  0.040  0.374  1.0
  O  O27  1  0.250  0.976  0.888  1.0
[/CIF]
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The material described by ZnIn2O4 crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second In site, In(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one In(1) and three equivalent In(2) atoms to form distorted OIn4 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with five equivalent O(3)ZnIn3 tetrahedra, corners with five equivalent O(4)ZnIn3 trigonal pyramids, edges with two equivalent O(1)In4 tetrahedra, and  an edgeedge with one O(4)ZnIn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent In(1) atoms. In the third O site, O(3) is bonded to one Zn(1), one In(2), and two equivalent In(1) atoms to form distorted OZnIn3 tetrahedra that share corners with two equivalent O(3)ZnIn3 tetrahedra, corners with five equivalent O(1)In4 tetrahedra,  a cornercorner with one O(4)ZnIn3 trigonal pyramid, and edges with two equivalent O(4)ZnIn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Zn(1), one In(1), and two equivalent In(2) atoms to form distorted OZnIn3 trigonal pyramids that share  a cornercorner with one O(3)ZnIn3 tetrahedra, corners with five equivalent O(1)In4 tetrahedra, corners with two equivalent O(4)ZnIn3 trigonal pyramids,  an edgeedge with one O(1)In4 tetrahedra, and edges with two equivalent O(3)ZnIn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.336
_cell_length_b   10.545
_cell_length_c   10.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.397
_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  0.750  0.131  0.584  1.0
  Zn  Zn1  1  0.250  0.369  0.084  1.0
  Zn  Zn2  1  0.750  0.631  0.916  1.0
  Zn  Zn3  1  0.250  0.869  0.416  1.0
  In  In4  1  0.750  0.138  0.285  1.0
  In  In5  1  0.750  0.112  0.918  1.0
  In  In6  1  0.250  0.388  0.418  1.0
  In  In7  1  0.250  0.362  0.785  1.0
  In  In8  1  0.750  0.638  0.215  1.0
  In  In9  1  0.750  0.612  0.582  1.0
  In  In10  1  0.250  0.888  0.082  1.0
  In  In11  1  0.250  0.862  0.715  1.0
  O  O12  1  0.750  0.024  0.112  1.0
  O  O13  1  0.750  0.960  0.626  1.0
  O  O14  1  0.250  0.272  0.242  1.0
  O  O15  1  0.750  0.260  0.460  1.0
  O  O16  1  0.250  0.240  0.960  1.0
  O  O17  1  0.750  0.228  0.742  1.0
  O  O18  1  0.250  0.540  0.126  1.0
  O  O19  1  0.250  0.476  0.612  1.0
  O  O20  1  0.750  0.524  0.388  1.0
  O  O21  1  0.750  0.460  0.874  1.0
  O  O22  1  0.250  0.772  0.258  1.0
  O  O23  1  0.750  0.760  0.040  1.0
  O  O24  1  0.250  0.740  0.540  1.0
  O  O25  1  0.750  0.728  0.758  1.0
  O  O26  1  0.250  0.040  0.374  1.0
  O  O27  1  0.250  0.976  0.888  1.0
[/CIF]
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