Sr2CaWO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr2CaW tetrahedra that share corners with four equivalent O(2)Sr4CaW octahedra, corners with ten equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and  an edgeedge with one O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr4CaW octahedra that share corners with six equivalent O(2)Sr4CaW octahedra, corners with eight equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and edges with eight equivalent O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 0-6°.
Sr2CaWO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.61 Å. All Sr(1)-O(2) bond lengths are 2.92 Å. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. Both Ca(1)-O(2) bond lengths are 2.27 Å. All Ca(1)-O(1) bond lengths are 2.31 Å. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. Both W(1)-O(2) bond lengths are 1.96 Å. All W(1)-O(1) bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr2CaW tetrahedra that share corners with four equivalent O(2)Sr4CaW octahedra, corners with ten equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and  an edgeedge with one O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ca(1), and one W(1) atom to form distorted OSr4CaW octahedra that share corners with six equivalent O(2)Sr4CaW octahedra, corners with eight equivalent O(1)Sr2CaW tetrahedra, edges with four equivalent O(2)Sr4CaW octahedra, and edges with eight equivalent O(1)Sr2CaW tetrahedra. The corner-sharing octahedral tilt angles range from 0-6°.