The material structure described by Zn4InGaO7 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Zn sites. In the first Zn site, 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 three equivalent Zn(2)O4 tetrahedra, and corners with six equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with six equivalent Zn(2)O4 tetrahedra, and corners with three equivalent Ga(1)O5 trigonal bipyramids. 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(3) and three equivalent O(4) atoms to form GaO5 trigonal bipyramids that share corners with six equivalent Zn(2)O4 tetrahedra and corners with six equivalent Ga(1)O5 trigonal bipyramids. There are four 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)Zn4 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 one Zn(2) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with three equivalent O(3)Zn3Ga tetrahedra, corners with three equivalent O(1)ZnIn3 tetrahedra, and corners with six equivalent O(2)Zn4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Zn(2) and one Ga(1) atom to form OZn3Ga tetrahedra that share corners with three equivalent O(2)Zn4 tetrahedra and corners with seven equivalent O(3)Zn3Ga tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Zn4InGaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.328
_cell_length_b   3.328
_cell_length_c   33.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   320.291
_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  0.408  1.0
  Zn  Zn1  1  0.333  0.667  0.592  1.0
  Zn  Zn2  1  0.333  0.667  0.908  1.0
  Zn  Zn3  1  0.667  0.333  0.092  1.0
  Zn  Zn4  1  0.000  0.000  0.329  1.0
  Zn  Zn5  1  0.000  0.000  0.671  1.0
  Zn  Zn6  1  0.000  0.000  0.829  1.0
  Zn  Zn7  1  0.000  0.000  0.171  1.0
  In  In8  1  0.000  0.000  0.500  1.0
  In  In9  1  0.000  0.000  0.000  1.0
  Ga  Ga10  1  0.667  0.333  0.250  1.0
  Ga  Ga11  1  0.333  0.667  0.750  1.0
  O  O12  1  0.667  0.333  0.467  1.0
  O  O13  1  0.333  0.667  0.533  1.0
  O  O14  1  0.333  0.667  0.967  1.0
  O  O15  1  0.667  0.333  0.033  1.0
  O  O16  1  0.000  0.000  0.389  1.0
  O  O17  1  0.000  0.000  0.611  1.0
  O  O18  1  0.000  0.000  0.889  1.0
  O  O19  1  0.000  0.000  0.111  1.0
  O  O20  1  0.667  0.333  0.310  1.0
  O  O21  1  0.333  0.667  0.690  1.0
  O  O22  1  0.333  0.667  0.810  1.0
  O  O23  1  0.667  0.333  0.190  1.0
  O  O24  1  0.000  0.000  0.250  1.0
  O  O25  1  0.000  0.000  0.750  1.0
[/CIF]
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The material structure described by Zn4InGaO7 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Zn sites. In the first Zn site, 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 three equivalent Zn(2)O4 tetrahedra, and corners with six equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with six equivalent Zn(2)O4 tetrahedra, and corners with three equivalent Ga(1)O5 trigonal bipyramids. 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(3) and three equivalent O(4) atoms to form GaO5 trigonal bipyramids that share corners with six equivalent Zn(2)O4 tetrahedra and corners with six equivalent Ga(1)O5 trigonal bipyramids. There are four 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)Zn4 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 one Zn(2) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with three equivalent O(3)Zn3Ga tetrahedra, corners with three equivalent O(1)ZnIn3 tetrahedra, and corners with six equivalent O(2)Zn4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Zn(2) and one Ga(1) atom to form OZn3Ga tetrahedra that share corners with three equivalent O(2)Zn4 tetrahedra and corners with seven equivalent O(3)Zn3Ga tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Zn4InGaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.328
_cell_length_b   3.328
_cell_length_c   33.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   320.291
_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  0.408  1.0
  Zn  Zn1  1  0.333  0.667  0.592  1.0
  Zn  Zn2  1  0.333  0.667  0.908  1.0
  Zn  Zn3  1  0.667  0.333  0.092  1.0
  Zn  Zn4  1  0.000  0.000  0.329  1.0
  Zn  Zn5  1  0.000  0.000  0.671  1.0
  Zn  Zn6  1  0.000  0.000  0.829  1.0
  Zn  Zn7  1  0.000  0.000  0.171  1.0
  In  In8  1  0.000  0.000  0.500  1.0
  In  In9  1  0.000  0.000  0.000  1.0
  Ga  Ga10  1  0.667  0.333  0.250  1.0
  Ga  Ga11  1  0.333  0.667  0.750  1.0
  O  O12  1  0.667  0.333  0.467  1.0
  O  O13  1  0.333  0.667  0.533  1.0
  O  O14  1  0.333  0.667  0.967  1.0
  O  O15  1  0.667  0.333  0.033  1.0
  O  O16  1  0.000  0.000  0.389  1.0
  O  O17  1  0.000  0.000  0.611  1.0
  O  O18  1  0.000  0.000  0.889  1.0
  O  O19  1  0.000  0.000  0.111  1.0
  O  O20  1  0.667  0.333  0.310  1.0
  O  O21  1  0.333  0.667  0.690  1.0
  O  O22  1  0.333  0.667  0.810  1.0
  O  O23  1  0.667  0.333  0.190  1.0
  O  O24  1  0.000  0.000  0.250  1.0
  O  O25  1  0.000  0.000  0.750  1.0
[/CIF]
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