Ba8Y4Cu(WO8)3 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to one O(5), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one Cu(1)O6 octahedra, faces with two equivalent Y(1)O6 octahedra, faces with two equivalent Y(2)O6 octahedra, and faces with two equivalent W(1)O6 octahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form YO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Y site, Y(2) is bonded to one O(5), one O(6), and four equivalent O(2) atoms to form YO6 octahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with four equivalent Y(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second W site, W(2) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent Y(2)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Y(2)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Y(1), and one Cu(1) atom to form a mixture of distorted corner and face-sharing OBa4YCu octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Y(2), and one W(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1), one Y(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(1), one Y(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to four equivalent Ba(1), one Y(2), and one W(2) atom. In the sixth O site, O(6) is bonded to four equivalent Ba(1), one Y(2), and one Cu(1) atom to form a mixture of distorted corner and face-sharing OBa4YCu octahedra. The corner-sharing octahedra are not tilted.
Ba8Y4Cu(WO8)3 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to one O(5), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one Cu(1)O6 octahedra, faces with two equivalent Y(1)O6 octahedra, faces with two equivalent Y(2)O6 octahedra, and faces with two equivalent W(1)O6 octahedra. The Ba(1)-O(5) bond length is 3.23 Å. The Ba(1)-O(6) bond length is 2.79 Å. Both Ba(1)-O(1) bond lengths are 2.83 Å. Both Ba(1)-O(3) bond lengths are 3.08 Å. Both Ba(1)-O(4) bond lengths are 3.03 Å. There are two shorter (3.05 Å) and two longer (3.21 Å) Ba(1)-O(2) bond lengths. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form YO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Y(1)-O(1) bond lengths are 2.18 Å. Both Y(1)-O(3) bond lengths are 2.28 Å. Both Y(1)-O(4) bond lengths are 2.34 Å. In the second Y site, Y(2) is bonded to one O(5), one O(6), and four equivalent O(2) atoms to form YO6 octahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Y(2)-O(5) bond length is 2.26 Å. The Y(2)-O(6) bond length is 2.12 Å. All Y(2)-O(2) bond lengths are 2.29 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with four equivalent Y(2)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both W(1)-O(4) bond lengths are 1.99 Å. All W(1)-O(2) bond lengths are 1.95 Å. In the second W site, W(2) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent Y(2)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both W(2)-O(5) bond lengths are 1.94 Å. All W(2)-O(3) bond lengths are 1.97 Å. Cu(1) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Y(2)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-O(6) bond lengths are 2.32 Å. All Cu(1)-O(1) bond lengths are 2.07 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Y(1), and one Cu(1) atom to form a mixture of distorted corner and face-sharing OBa4YCu octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Y(2), and one W(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1), one Y(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(1), one Y(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to four equivalent Ba(1), one Y(2), and one W(2) atom. In the sixth O site, O(6) is bonded to four equivalent Ba(1), one Y(2), and one Cu(1) atom to form a mixture of distorted corner and face-sharing OBa4YCu octahedra. The corner-sharing octahedra are not tilted.