The structure described by Zn2In2O5 is Aluminum carbonitride-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Zn(1)O4 tetrahedra, and corners with three equivalent In(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the second Zn site, Zn(2) is bonded to one O(3) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Zn(2)O4 tetrahedra, and corners with three equivalent In(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with six equivalent In(1)O6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(4), and three equivalent O(5) atoms to form InO5 trigonal bipyramids that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and corners with six equivalent In(2)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Zn(1) and one In(2) atom to form OZn3In tetrahedra that share  a cornercorner with one O(4)Zn3In tetrahedra, corners with three equivalent O(2)ZnIn3 tetrahedra, and corners with six equivalent O(1)Zn3In tetrahedra. In the second O site, O(2) is bonded to one Zn(1) and three equivalent In(1) atoms to form OZnIn3 tetrahedra that share corners with three equivalent O(1)Zn3In tetrahedra, corners with three equivalent O(3)ZnIn3 tetrahedra, corners with six equivalent O(2)ZnIn3 tetrahedra, and edges with three equivalent O(3)ZnIn3 tetrahedra. In the third O site, O(3) is bonded to one Zn(2) and three equivalent In(1) atoms to form distorted OZnIn3 tetrahedra that share corners with three equivalent O(4)Zn3In tetrahedra, corners with three equivalent O(2)ZnIn3 tetrahedra, corners with six equivalent O(3)ZnIn3 tetrahedra, and edges with three equivalent O(2)ZnIn3 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Zn(2) and one In(2) atom to form OZn3In tetrahedra that share  a cornercorner with one O(1)Zn3In tetrahedra, corners with three equivalent O(3)ZnIn3 tetrahedra, and corners with six equivalent O(4)Zn3In tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to three equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2In2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.481
_cell_length_b   3.481
_cell_length_c   23.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   243.389
_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  0.333  0.667  0.557  1.0
  Zn  Zn1  1  0.667  0.333  0.057  1.0
  Zn  Zn2  1  0.667  0.333  0.818  1.0
  Zn  Zn3  1  0.333  0.667  0.318  1.0
  In  In4  1  0.000  0.000  0.687  1.0
  In  In5  1  0.000  0.000  0.187  1.0
  In  In6  1  0.333  0.667  0.939  1.0
  In  In7  1  0.667  0.333  0.439  1.0
  O  O8  1  0.667  0.333  0.535  1.0
  O  O9  1  0.333  0.667  0.035  1.0
  O  O10  1  0.333  0.667  0.643  1.0
  O  O11  1  0.667  0.333  0.143  1.0
  O  O12  1  0.667  0.333  0.733  1.0
  O  O13  1  0.333  0.667  0.233  1.0
  O  O14  1  0.333  0.667  0.844  1.0
  O  O15  1  0.667  0.333  0.344  1.0
  O  O16  1  0.667  0.333  0.943  1.0
  O  O17  1  0.333  0.667  0.443  1.0
[/CIF]
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The structure described by Zn2In2O5 is Aluminum carbonitride-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Zn(1)O4 tetrahedra, and corners with three equivalent In(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the second Zn site, Zn(2) is bonded to one O(3) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Zn(2)O4 tetrahedra, and corners with three equivalent In(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with six equivalent In(1)O6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(4), and three equivalent O(5) atoms to form InO5 trigonal bipyramids that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and corners with six equivalent In(2)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Zn(1) and one In(2) atom to form OZn3In tetrahedra that share  a cornercorner with one O(4)Zn3In tetrahedra, corners with three equivalent O(2)ZnIn3 tetrahedra, and corners with six equivalent O(1)Zn3In tetrahedra. In the second O site, O(2) is bonded to one Zn(1) and three equivalent In(1) atoms to form OZnIn3 tetrahedra that share corners with three equivalent O(1)Zn3In tetrahedra, corners with three equivalent O(3)ZnIn3 tetrahedra, corners with six equivalent O(2)ZnIn3 tetrahedra, and edges with three equivalent O(3)ZnIn3 tetrahedra. In the third O site, O(3) is bonded to one Zn(2) and three equivalent In(1) atoms to form distorted OZnIn3 tetrahedra that share corners with three equivalent O(4)Zn3In tetrahedra, corners with three equivalent O(2)ZnIn3 tetrahedra, corners with six equivalent O(3)ZnIn3 tetrahedra, and edges with three equivalent O(2)ZnIn3 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Zn(2) and one In(2) atom to form OZn3In tetrahedra that share  a cornercorner with one O(1)Zn3In tetrahedra, corners with three equivalent O(3)ZnIn3 tetrahedra, and corners with six equivalent O(4)Zn3In tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to three equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2In2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.481
_cell_length_b   3.481
_cell_length_c   23.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   243.389
_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  0.333  0.667  0.557  1.0
  Zn  Zn1  1  0.667  0.333  0.057  1.0
  Zn  Zn2  1  0.667  0.333  0.818  1.0
  Zn  Zn3  1  0.333  0.667  0.318  1.0
  In  In4  1  0.000  0.000  0.687  1.0
  In  In5  1  0.000  0.000  0.187  1.0
  In  In6  1  0.333  0.667  0.939  1.0
  In  In7  1  0.667  0.333  0.439  1.0
  O  O8  1  0.667  0.333  0.535  1.0
  O  O9  1  0.333  0.667  0.035  1.0
  O  O10  1  0.333  0.667  0.643  1.0
  O  O11  1  0.667  0.333  0.143  1.0
  O  O12  1  0.667  0.333  0.733  1.0
  O  O13  1  0.333  0.667  0.233  1.0
  O  O14  1  0.333  0.667  0.844  1.0
  O  O15  1  0.667  0.333  0.344  1.0
  O  O16  1  0.667  0.333  0.943  1.0
  O  O17  1  0.333  0.667  0.443  1.0
[/CIF]
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