Ca2WMoO6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two 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 29-34°. 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 29-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one W(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OCa2MoW trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Mo(1) atom.
Ca2WMoO6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Ca(1)-O(3) bond length is 2.30 Å. There is one shorter (2.38 Å) and one longer (2.54 Å) Ca(1)-O(1) bond length. There is one shorter (2.34 Å) and one longer (2.60 Å) Ca(1)-O(2) bond length. 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 29-34°. Both W(1)-O(1) bond lengths are 1.98 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 29-34°. Both Mo(1)-O(1) bond lengths are 2.14 Å. Both Mo(1)-O(2) bond lengths are 2.15 Å. Both Mo(1)-O(3) bond lengths are 2.17 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one W(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OCa2MoW trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Mo(1) atom.