Ga2O3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form GaO6 octahedra that share corners with seven equivalent Ga(2)O4 tetrahedra and edges with four equivalent Ga(1)O6 octahedra. In the second Ga site, Ga(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with seven equivalent Ga(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(1) atoms.
Ga2O3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form GaO6 octahedra that share corners with seven equivalent Ga(2)O4 tetrahedra and edges with four equivalent Ga(1)O6 octahedra. The Ga(1)-O(1) bond length is 1.94 Å. Both Ga(1)-O(3) bond lengths are 1.95 Å. There is one shorter (2.01 Å) and two longer (2.08 Å) Ga(1)-O(2) bond lengths. In the second Ga site, Ga(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with seven equivalent Ga(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. The Ga(2)-O(2) bond length is 1.87 Å. The Ga(2)-O(3) bond length is 1.84 Å. Both Ga(2)-O(1) bond lengths are 1.84 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(1) atoms.