Y2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner, edge, and face-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. In the second Y site, Y(2) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted corner, edge, and face-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 47-72°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OY4 tetrahedra. In the second O site, O(2) is bonded to one Y(2) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing OY4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OY4 trigonal pyramids.
Y2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner, edge, and face-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. The Y(1)-O(1) bond length is 2.37 Å. There is one shorter (2.22 Å) and one longer (2.35 Å) Y(1)-O(3) bond length. There are a spread of Y(1)-O(2) bond distances ranging from 2.22-2.34 Å. In the second Y site, Y(2) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted corner, edge, and face-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 47-72°. The Y(2)-O(2) bond length is 2.37 Å. There is one shorter (2.24 Å) and one longer (2.32 Å) Y(2)-O(3) bond length. There are a spread of Y(2)-O(1) bond distances ranging from 2.25-2.35 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OY4 tetrahedra. In the second O site, O(2) is bonded to one Y(2) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing OY4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OY4 trigonal pyramids.