UTh2ZrO8 is Fluorite-derived structured and crystallizes in the tetragonal P4mm space group. U(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with four equivalent O(1)Th4 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(1)Th4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(2) and two equivalent Zr(1) atoms to form OTh2Zr2 tetrahedra that share corners with four equivalent O(2)Th2Zr2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(2)Th2Zr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent U(1) and two equivalent Zr(1) atoms to form OZr2U2 tetrahedra that share corners with four equivalent O(3)Zr2U2 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(3)Zr2U2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent U(1) and two equivalent Th(1) atoms to form OTh2U2 tetrahedra that share corners with four equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(4)Th2U2 tetrahedra.
UTh2ZrO8 is Fluorite-derived structured and crystallizes in the tetragonal P4mm space group. U(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. All U(1)-O(3) bond lengths are 2.34 Å. All U(1)-O(4) bond lengths are 2.37 Å. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. All Th(1)-O(1) bond lengths are 2.40 Å. All Th(1)-O(4) bond lengths are 2.40 Å. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Th(2)-O(1) bond lengths are 2.40 Å. All Th(2)-O(2) bond lengths are 2.40 Å. Zr(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. All Zr(1)-O(2) bond lengths are 2.30 Å. All Zr(1)-O(3) bond lengths are 2.31 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with four equivalent O(1)Th4 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(1)Th4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(2) and two equivalent Zr(1) atoms to form OTh2Zr2 tetrahedra that share corners with four equivalent O(2)Th2Zr2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(2)Th2Zr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent U(1) and two equivalent Zr(1) atoms to form OZr2U2 tetrahedra that share corners with four equivalent O(3)Zr2U2 tetrahedra, corners with six equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(2)Th2Zr2 tetrahedra,  an edgeedge with one O(4)Th2U2 tetrahedra,  an edgeedge with one O(2)Th2Zr2 tetrahedra, and edges with four equivalent O(3)Zr2U2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent U(1) and two equivalent Th(1) atoms to form OTh2U2 tetrahedra that share corners with four equivalent O(4)Th2U2 tetrahedra, corners with six equivalent O(1)Th4 tetrahedra, corners with six equivalent O(3)Zr2U2 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(3)Zr2U2 tetrahedra, and edges with four equivalent O(4)Th2U2 tetrahedra.