Ba3WCo2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent W(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent W(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one W(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one W(1), and one Co(2) atom to form a mixture of distorted corner and face-sharing OBa4CoW octahedra. The corner-sharing octahedral tilt angles range from 7-60°.
Ba3WCo2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.00 Å. All Ba(1)-O(3) bond lengths are 2.86 Å. All Ba(1)-O(2) bond lengths are 2.94 Å. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent W(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ba(2)-O(2) bond lengths are 3.11 Å. All Ba(2)-O(3) bond lengths are 2.86 Å. All Ba(2)-O(1) bond lengths are 2.95 Å. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. All Ba(3)-O(1) bond lengths are 2.89 Å. All Ba(3)-O(2) bond lengths are 2.99 Å. All Ba(3)-O(3) bond lengths are 2.94 Å. W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. All W(1)-O(2) bond lengths are 1.94 Å. All W(1)-O(3) bond lengths are 1.99 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent W(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. All Co(1)-O(1) bond lengths are 2.09 Å. All Co(1)-O(2) bond lengths are 2.15 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. All Co(2)-O(1) bond lengths are 1.84 Å. All Co(2)-O(3) bond lengths are 2.28 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one W(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one W(1), and one Co(2) atom to form a mixture of distorted corner and face-sharing OBa4CoW octahedra. The corner-sharing octahedral tilt angles range from 7-60°.