BaU2O7 crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(3) atoms. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent U(1) atoms to form corner-sharing OU4 tetrahedra. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one U(1) atom.
BaU2O7 crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(3) atoms. All Ba(1)-O(3) bond lengths are 2.89 Å. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 66°. Both U(1)-O(1) bond lengths are 2.33 Å. Both U(1)-O(2) bond lengths are 2.12 Å. Both U(1)-O(3) bond lengths are 1.88 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent U(1) atoms to form corner-sharing OU4 tetrahedra. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one U(1) atom.