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.
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°. The Zn(1)-O(1) bond length is 1.98 Å. All Zn(1)-O(2) bond lengths are 2.02 Å. 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. The Zn(2)-O(2) bond length is 2.00 Å. All Zn(2)-O(3) bond lengths are 2.02 Å. 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. All In(1)-O(1) bond lengths are 2.21 Å. 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. Both Ga(1)-O(3) bond lengths are 2.00 Å. All Ga(1)-O(4) bond lengths are 1.92 Å. 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.