Ca2WMoO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. 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 Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one W(1), and one Mo(1) atom to form distorted corner-sharing OCa2MoW tetrahedra.
Ca2WMoO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.32 Å) and one longer (2.43 Å) Ca(1)-O(3) bond length. There are a spread of Ca(1)-O(1) bond distances ranging from 2.39-2.81 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.36-2.86 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 Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. Both W(1)-O(1) bond lengths are 1.99 Å. Both W(1)-O(2) bond lengths are 2.02 Å. Both W(1)-O(3) bond lengths are 2.04 Å. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. Both Mo(1)-O(1) bond lengths are 2.18 Å. Both Mo(1)-O(2) bond lengths are 2.15 Å. Both Mo(1)-O(3) bond lengths are 2.16 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one W(1), and one Mo(1) atom to form distorted corner-sharing OCa2MoW tetrahedra.