Sr2CaWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are three 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 corner-sharing OSr2CaW tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ca(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ca(1), and one W(1) atom.
Sr2CaWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.52 Å) and one longer (2.62 Å) Sr(1)-O(1) bond length. There are a spread of Sr(1)-O(2) bond distances ranging from 2.54-2.93 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.55-2.95 Å. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. Both Ca(1)-O(1) bond lengths are 2.32 Å. Both Ca(1)-O(2) bond lengths are 2.32 Å. Both Ca(1)-O(3) bond lengths are 2.34 Å. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. Both W(1)-O(1) bond lengths are 1.96 Å. Both W(1)-O(2) bond lengths are 1.96 Å. Both W(1)-O(3) bond lengths are 1.97 Å. There are three 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 corner-sharing OSr2CaW tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ca(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ca(1), and one W(1) atom.