Ba2WO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted edge-sharing WO6 octahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Ba(2) and two equivalent Ba(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent W(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one W(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one W(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one W(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one W(1) atom.
Ba2WO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. The Ba(1)-O(1) bond length is 2.76 Å. The Ba(1)-O(3) bond length is 2.85 Å. The Ba(1)-O(4) bond length is 3.08 Å. There is one shorter (2.75 Å) and one longer (2.89 Å) Ba(1)-O(2) bond length. There is one shorter (2.99 Å) and one longer (3.02 Å) Ba(1)-O(5) bond length. There is one shorter (2.65 Å) and one longer (2.69 Å) Ba(1)-O(6) bond length. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. The Ba(2)-O(1) bond length is 2.74 Å. The Ba(2)-O(2) bond length is 2.83 Å. The Ba(2)-O(5) bond length is 2.94 Å. The Ba(2)-O(6) bond length is 2.62 Å. Both Ba(2)-O(3) bond lengths are 2.82 Å. There is one shorter (2.89 Å) and one longer (2.93 Å) Ba(2)-O(4) bond length. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted edge-sharing WO6 octahedra. The W(1)-O(2) bond length is 1.86 Å. The W(1)-O(3) bond length is 1.90 Å. The W(1)-O(4) bond length is 2.08 Å. The W(1)-O(5) bond length is 1.86 Å. There is one shorter (2.01 Å) and one longer (2.14 Å) W(1)-O(1) bond length. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Ba(2) and two equivalent Ba(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent W(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one W(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one W(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one W(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one W(1) atom.