YZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Y(1) and three equivalent Zr(1) atoms to form OYZr3 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with twelve equivalent O(2)YZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and edges with five equivalent O(2)YZr3 tetrahedra. In the second O site, O(1) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with sixteen equivalent O(2)YZr3 tetrahedra, edges with two equivalent O(1)Zr4 tetrahedra, and edges with four equivalent O(2)YZr3 tetrahedra.
YZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. All Y(1)-O(2) bond lengths are 2.33 Å. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Both Zr(1)-O(1) bond lengths are 2.26 Å. There are four shorter (2.23 Å) and two longer (2.24 Å) Zr(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Y(1) and three equivalent Zr(1) atoms to form OYZr3 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with twelve equivalent O(2)YZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and edges with five equivalent O(2)YZr3 tetrahedra. In the second O site, O(1) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with sixteen equivalent O(2)YZr3 tetrahedra, edges with two equivalent O(1)Zr4 tetrahedra, and edges with four equivalent O(2)YZr3 tetrahedra.