Bi2UO6 crystallizes in the trigonal P-3m1 space group. U(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to one O(3), three equivalent O(1), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one U(1) and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with four equivalent O(3)U3Bi tetrahedra, corners with six equivalent O(2)Bi4 tetrahedra, and edges with three equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to three equivalent U(1) and one Bi(1) atom to form distorted OU3Bi tetrahedra that share corners with four equivalent O(2)Bi4 tetrahedra, corners with nine equivalent O(3)U3Bi tetrahedra, and edges with three equivalent O(3)U3Bi tetrahedra.
Bi2UO6 crystallizes in the trigonal P-3m1 space group. U(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. Both U(1)-O(1) bond lengths are 1.99 Å. All U(1)-O(3) bond lengths are 2.30 Å. Bi(1) is bonded in a distorted body-centered cubic geometry to one O(3), three equivalent O(1), and four equivalent O(2) atoms. The Bi(1)-O(3) bond length is 2.72 Å. All Bi(1)-O(1) bond lengths are 2.56 Å. There is one shorter (2.31 Å) and three longer (2.36 Å) Bi(1)-O(2) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one U(1) and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with four equivalent O(3)U3Bi tetrahedra, corners with six equivalent O(2)Bi4 tetrahedra, and edges with three equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to three equivalent U(1) and one Bi(1) atom to form distorted OU3Bi tetrahedra that share corners with four equivalent O(2)Bi4 tetrahedra, corners with nine equivalent O(3)U3Bi tetrahedra, and edges with three equivalent O(3)U3Bi tetrahedra.