U3O5 crystallizes in the trigonal P3m1 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one O(2), one O(4), and three equivalent O(5) atoms to form distorted corner-sharing UO5 trigonal bipyramids. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. In the third U site, U(3) is bonded in a body-centered cubic geometry to one O(3), one O(5), three equivalent O(1), and three equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one U(2) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O site, O(3) is bonded to one U(3) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O site, O(4) is bonded to one U(1) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O site, O(5) is bonded to one U(3) and three equivalent U(1) atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra.
U3O5 crystallizes in the trigonal P3m1 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one O(2), one O(4), and three equivalent O(5) atoms to form distorted corner-sharing UO5 trigonal bipyramids. The U(1)-O(2) bond length is 2.24 Å. The U(1)-O(4) bond length is 2.28 Å. All U(1)-O(5) bond lengths are 2.27 Å. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. The U(2)-O(1) bond length is 2.29 Å. All U(2)-O(2) bond lengths are 2.43 Å. All U(2)-O(3) bond lengths are 2.33 Å. In the third U site, U(3) is bonded in a body-centered cubic geometry to one O(3), one O(5), three equivalent O(1), and three equivalent O(4) atoms. The U(3)-O(3) bond length is 2.38 Å. The U(3)-O(5) bond length is 2.59 Å. All U(3)-O(1) bond lengths are 2.35 Å. All U(3)-O(4) bond lengths are 2.36 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one U(2) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O site, O(3) is bonded to one U(3) and three equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O site, O(4) is bonded to one U(1) and three equivalent U(3) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O site, O(5) is bonded to one U(3) and three equivalent U(1) atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra.