Ba3WO6 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(4), one O(7), one O(8), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom. In the second W site, W(2) is bonded in a trigonal bipyramidal geometry to one O(10), one O(5), one O(6), one O(7), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), one Ba(5), and one W(1) atom to form distorted OBa3W tetrahedra that share corners with two equivalent O(12)Ba3W tetrahedra, corners with two equivalent O(10)Ba3W trigonal pyramids, and  an edgeedge with one O(8)Ba5 square pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(6), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(5), one Ba(6), and one W(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ba(6), and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(3), one Ba(4), one Ba(5), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Ba(6), and one W(2) atom. In the eighth O site, O(8) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), and one Ba(6) atom to form a mixture of distorted corner and edge-sharing OBa5 square pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), and one W(2) atom. In the tenth O site, O(10) is bonded to one Ba(1), one Ba(2), one Ba(3), and one W(2) atom to form distorted OBa3W trigonal pyramids that share corners with two equivalent O(8)Ba5 square pyramids, corners with two equivalent O(1)Ba3W tetrahedra, and corners with two equivalent O(12)Ba3W tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(5), one Ba(6), and one W(1) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(3), one Ba(4), and one W(1) atom to form OBa3W tetrahedra that share corners with two equivalent O(1)Ba3W tetrahedra, corners with two equivalent O(10)Ba3W trigonal pyramids, and  an edgeedge with one O(8)Ba5 square pyramid.
Ba3WO6 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. The Ba(1)-O(10) bond length is 2.84 Å. The Ba(1)-O(12) bond length is 2.58 Å. The Ba(1)-O(2) bond length is 2.70 Å. The Ba(1)-O(5) bond length is 2.92 Å. The Ba(1)-O(8) bond length is 2.56 Å. The Ba(1)-O(9) bond length is 3.01 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(4), one O(7), one O(8), and one O(9) atom. The Ba(2)-O(1) bond length is 2.59 Å. The Ba(2)-O(10) bond length is 2.82 Å. The Ba(2)-O(4) bond length is 2.69 Å. The Ba(2)-O(7) bond length is 2.83 Å. The Ba(2)-O(8) bond length is 2.56 Å. The Ba(2)-O(9) bond length is 2.97 Å. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom. The Ba(3)-O(1) bond length is 2.67 Å. The Ba(3)-O(10) bond length is 2.55 Å. The Ba(3)-O(12) bond length is 2.65 Å. The Ba(3)-O(2) bond length is 2.98 Å. The Ba(3)-O(4) bond length is 3.11 Å. The Ba(3)-O(6) bond length is 2.74 Å. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. The Ba(4)-O(11) bond length is 2.89 Å. The Ba(4)-O(12) bond length is 2.66 Å. The Ba(4)-O(2) bond length is 2.96 Å. The Ba(4)-O(3) bond length is 2.79 Å. The Ba(4)-O(5) bond length is 2.91 Å. The Ba(4)-O(6) bond length is 3.06 Å. The Ba(4)-O(8) bond length is 2.86 Å. The Ba(4)-O(9) bond length is 2.77 Å. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Ba(5)-O(1) bond length is 2.66 Å. The Ba(5)-O(11) bond length is 2.95 Å. The Ba(5)-O(3) bond length is 2.77 Å. The Ba(5)-O(4) bond length is 3.04 Å. The Ba(5)-O(6) bond length is 3.09 Å. The Ba(5)-O(7) bond length is 2.90 Å. The Ba(5)-O(8) bond length is 2.78 Å. The Ba(5)-O(9) bond length is 2.78 Å. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Ba(6)-O(11) bond length is 2.65 Å. The Ba(6)-O(2) bond length is 2.82 Å. The Ba(6)-O(3) bond length is 2.90 Å. The Ba(6)-O(4) bond length is 2.76 Å. The Ba(6)-O(5) bond length is 2.71 Å. The Ba(6)-O(7) bond length is 2.73 Å. The Ba(6)-O(8) bond length is 2.51 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(4) atom. The W(1)-O(1) bond length is 2.02 Å. The W(1)-O(11) bond length is 1.99 Å. The W(1)-O(12) bond length is 2.03 Å. The W(1)-O(2) bond length is 1.98 Å. The W(1)-O(3) bond length is 1.93 Å. The W(1)-O(4) bond length is 1.98 Å. In the second W site, W(2) is bonded in a trigonal bipyramidal geometry to one O(10), one O(5), one O(6), one O(7), and one O(9) atom. The W(2)-O(10) bond length is 1.94 Å. The W(2)-O(5) bond length is 1.85 Å. The W(2)-O(6) bond length is 1.90 Å. The W(2)-O(7) bond length is 1.85 Å. The W(2)-O(9) bond length is 2.01 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), one Ba(5), and one W(1) atom to form distorted OBa3W tetrahedra that share corners with two equivalent O(12)Ba3W tetrahedra, corners with two equivalent O(10)Ba3W trigonal pyramids, and  an edgeedge with one O(8)Ba5 square pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(6), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(5), one Ba(6), and one W(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ba(6), and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(3), one Ba(4), one Ba(5), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Ba(6), and one W(2) atom. In the eighth O site, O(8) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), and one Ba(6) atom to form a mixture of distorted corner and edge-sharing OBa5 square pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), and one W(2) atom. In the tenth O site, O(10) is bonded to one Ba(1), one Ba(2), one Ba(3), and one W(2) atom to form distorted OBa3W trigonal pyramids that share corners with two equivalent O(8)Ba5 square pyramids, corners with two equivalent O(1)Ba3W tetrahedra, and corners with two equivalent O(12)Ba3W tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(5), one Ba(6), and one W(1) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(3), one Ba(4), and one W(1) atom to form OBa3W tetrahedra that share corners with two equivalent O(1)Ba3W tetrahedra, corners with two equivalent O(10)Ba3W trigonal pyramids, and  an edgeedge with one O(8)Ba5 square pyramid.