Zr2SO3 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. Zr(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded to four equivalent Zr(1) atoms to form SZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(1)Zr4 tetrahedra, edges with two equivalent O(2)Zr4 tetrahedra, and edges with four equivalent O(3)Zr4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent S(1)Zr4 tetrahedra, edges with two equivalent O(3)Zr4 tetrahedra, and edges with four equivalent O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)Zr4 tetrahedra, edges with two equivalent S(1)Zr4 tetrahedra, and edges with four equivalent O(1)Zr4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(1)Zr4 tetrahedra, and edges with four equivalent S(1)Zr4 tetrahedra.
Zr2SO3 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. Zr(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Zr(1)-S(1) bond lengths are 2.48 Å. Both Zr(1)-O(1) bond lengths are 2.28 Å. Both Zr(1)-O(2) bond lengths are 2.28 Å. Both Zr(1)-O(3) bond lengths are 2.48 Å. S(1) is bonded to four equivalent Zr(1) atoms to form SZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(1)Zr4 tetrahedra, edges with two equivalent O(2)Zr4 tetrahedra, and edges with four equivalent O(3)Zr4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent S(1)Zr4 tetrahedra, edges with two equivalent O(3)Zr4 tetrahedra, and edges with four equivalent O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent S(1)Zr4 tetrahedra, corners with four equivalent O(2)Zr4 tetrahedra, corners with eight equivalent O(3)Zr4 tetrahedra, edges with two equivalent S(1)Zr4 tetrahedra, and edges with four equivalent O(1)Zr4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Zr4 tetrahedra, corners with eight equivalent O(2)Zr4 tetrahedra, edges with two equivalent O(1)Zr4 tetrahedra, and edges with four equivalent S(1)Zr4 tetrahedra.