MgU2O6 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one U(2), and two equivalent U(1) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one U(1), and two equivalent U(2) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(2)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one U(1), and one U(2) atom to form OMg2U2 tetrahedra that share corners with four equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra.
MgU2O6 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.31 Å. Both Mg(1)-O(2) bond lengths are 2.32 Å. There are two shorter (2.24 Å) and two longer (2.37 Å) Mg(1)-O(3) bond lengths. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both U(1)-O(2) bond lengths are 2.28 Å. Both U(1)-O(3) bond lengths are 2.24 Å. There are two shorter (2.26 Å) and two longer (2.31 Å) U(1)-O(1) bond lengths. In the second U site, U(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Both U(2)-O(1) bond lengths are 2.30 Å. Both U(2)-O(3) bond lengths are 2.20 Å. All U(2)-O(2) bond lengths are 2.29 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one U(2), and two equivalent U(1) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one U(1), and two equivalent U(2) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(2)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one U(1), and one U(2) atom to form OMg2U2 tetrahedra that share corners with four equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra.