CaWNiO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom.
CaWNiO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. The Ca(1)-O(1) bond length is 2.39 Å. The Ca(1)-O(2) bond length is 2.31 Å. The Ca(1)-O(4) bond length is 2.33 Å. The Ca(1)-O(6) bond length is 2.34 Å. There is one shorter (2.49 Å) and one longer (2.60 Å) Ca(1)-O(3) bond length. There is one shorter (2.51 Å) and one longer (2.57 Å) Ca(1)-O(5) bond length. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. The W(1)-O(1) bond length is 1.94 Å. The W(1)-O(2) bond length is 1.93 Å. The W(1)-O(3) bond length is 1.99 Å. The W(1)-O(4) bond length is 1.90 Å. The W(1)-O(5) bond length is 1.97 Å. The W(1)-O(6) bond length is 1.91 Å. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. The Ni(1)-O(1) bond length is 1.89 Å. The Ni(1)-O(2) bond length is 1.90 Å. The Ni(1)-O(3) bond length is 1.90 Å. The Ni(1)-O(4) bond length is 1.90 Å. The Ni(1)-O(5) bond length is 1.90 Å. The Ni(1)-O(6) bond length is 1.89 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Ni(1) atom.