Ca2NiWO6 crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. 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 Ni(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom.
Ca2NiWO6 crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are a spread of Ca(1)-O(1) bond distances ranging from 2.46-2.86 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.60-3.02 Å. There are a spread of Ca(1)-O(3) bond distances ranging from 2.60-3.01 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both W(1)-O(1) bond lengths are 1.93 Å. Both W(1)-O(2) bond lengths are 1.91 Å. Both W(1)-O(3) bond lengths are 1.95 Å. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Ni(1)-O(1) bond lengths are 2.02 Å. Both Ni(1)-O(2) bond lengths are 2.06 Å. Both Ni(1)-O(3) bond lengths are 2.01 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 Ni(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one W(1), and one Ni(1) atom.