The compound described by InGaO3(ZnO)2 is Aluminum carbonitride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Zn(1) is bonded to one O(1) and three equivalent O(2) 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 Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent In(1)O6 octahedra. Ga(1) is bonded to two equivalent O(2) and three equivalent O(3) atoms to form GaO5 trigonal bipyramids that share corners with six equivalent Zn(1)O4 tetrahedra and corners with six equivalent Ga(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1) and three equivalent In(1) atoms to form distorted OZnIn3 tetrahedra that share corners with three equivalent O(2)Zn3Ga tetrahedra, corners with nine equivalent O(1)ZnIn3 tetrahedra, and edges with three equivalent O(1)ZnIn3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Zn(1) and one Ga(1) atom to form OZn3Ga tetrahedra that share corners with three equivalent O(1)ZnIn3 tetrahedra and corners with seven equivalent O(2)Zn3Ga tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Zn2InGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   3.346
_cell_length_c   22.745
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   220.550
_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  0.135  1.0
  Zn  Zn1  1  0.667  0.333  0.365  1.0
  Zn  Zn2  1  0.333  0.667  0.635  1.0
  Zn  Zn3  1  0.333  0.667  0.865  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.000  0.000  0.500  1.0
  Ga  Ga6  1  0.000  0.000  0.250  1.0
  Ga  Ga7  1  0.000  0.000  0.750  1.0
  O  O8  1  0.667  0.333  0.048  1.0
  O  O9  1  0.000  0.000  0.162  1.0
  O  O10  1  0.667  0.333  0.250  1.0
  O  O11  1  0.000  0.000  0.338  1.0
  O  O12  1  0.667  0.333  0.452  1.0
  O  O13  1  0.333  0.667  0.548  1.0
  O  O14  1  0.000  0.000  0.662  1.0
  O  O15  1  0.333  0.667  0.750  1.0
  O  O16  1  0.000  0.000  0.838  1.0
  O  O17  1  0.333  0.667  0.952  1.0
[/CIF]
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The compound described by InGaO3(ZnO)2 is Aluminum carbonitride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Zn(1) is bonded to one O(1) and three equivalent O(2) 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 Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent In(1)O6 octahedra. Ga(1) is bonded to two equivalent O(2) and three equivalent O(3) atoms to form GaO5 trigonal bipyramids that share corners with six equivalent Zn(1)O4 tetrahedra and corners with six equivalent Ga(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1) and three equivalent In(1) atoms to form distorted OZnIn3 tetrahedra that share corners with three equivalent O(2)Zn3Ga tetrahedra, corners with nine equivalent O(1)ZnIn3 tetrahedra, and edges with three equivalent O(1)ZnIn3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Zn(1) and one Ga(1) atom to form OZn3Ga tetrahedra that share corners with three equivalent O(1)ZnIn3 tetrahedra and corners with seven equivalent O(2)Zn3Ga tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Zn2InGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.346
_cell_length_b   3.346
_cell_length_c   22.745
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   220.550
_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  0.135  1.0
  Zn  Zn1  1  0.667  0.333  0.365  1.0
  Zn  Zn2  1  0.333  0.667  0.635  1.0
  Zn  Zn3  1  0.333  0.667  0.865  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.000  0.000  0.500  1.0
  Ga  Ga6  1  0.000  0.000  0.250  1.0
  Ga  Ga7  1  0.000  0.000  0.750  1.0
  O  O8  1  0.667  0.333  0.048  1.0
  O  O9  1  0.000  0.000  0.162  1.0
  O  O10  1  0.667  0.333  0.250  1.0
  O  O11  1  0.000  0.000  0.338  1.0
  O  O12  1  0.667  0.333  0.452  1.0
  O  O13  1  0.333  0.667  0.548  1.0
  O  O14  1  0.000  0.000  0.662  1.0
  O  O15  1  0.333  0.667  0.750  1.0
  O  O16  1  0.000  0.000  0.838  1.0
  O  O17  1  0.333  0.667  0.952  1.0
[/CIF]
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