Ba5W2Fe3O15 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(4), and four equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(2), one O(4), one O(7), two equivalent O(3), two equivalent O(5), two equivalent O(6), and three equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with nine equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with five equivalent Ba(2)O12 cuboctahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. W(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form WO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with five equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), three equivalent Ba(2), one W(1), and one Fe(1) atom to form distorted OBa4FeW octahedra that share  a cornercorner with one O(2)Ba4Fe2 octahedra, corners with three equivalent O(4)Ba4FeW octahedra, corners with three equivalent O(7)Ba4FeW octahedra, corners with four equivalent O(5)Ba4Fe2 octahedra, corners with four equivalent O(6)Ba4FeW octahedra, corners with five equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(2)Ba4Fe2 octahedra, edges with three equivalent O(1)Ba4FeW octahedra,  a faceface with one O(5)Ba4Fe2 octahedra,  a faceface with one O(6)Ba4FeW octahedra, faces with two equivalent O(4)Ba4FeW octahedra, and faces with two equivalent O(7)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Fe(2), and one Fe(3) atom to form distorted OBa4Fe2 octahedra that share corners with two equivalent O(2)Ba4Fe2 octahedra, corners with four equivalent O(1)Ba4FeW octahedra, corners with four equivalent O(4)Ba4FeW octahedra, corners with four equivalent O(7)Ba4FeW octahedra, edges with four equivalent O(1)Ba4FeW octahedra, faces with four equivalent O(5)Ba4Fe2 octahedra, and faces with four equivalent O(6)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(2), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), one W(1), and one Fe(1) atom to form distorted OBa4FeW octahedra that share corners with two equivalent O(2)Ba4Fe2 octahedra, corners with two equivalent O(7)Ba4FeW octahedra, corners with four equivalent O(4)Ba4FeW octahedra, corners with five equivalent O(6)Ba4FeW octahedra, corners with six equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(5)Ba4Fe2 octahedra,  an edgeedge with one O(4)Ba4FeW octahedra, edges with two equivalent O(7)Ba4FeW octahedra,  a faceface with one O(5)Ba4Fe2 octahedra, faces with two equivalent O(7)Ba4FeW octahedra, and faces with four equivalent O(1)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fifth O site, O(5) is bonded to four equivalent Ba(2), one Fe(1), and one Fe(3) atom to form distorted OBa4Fe2 octahedra that share  a cornercorner with one O(5)Ba4Fe2 octahedra, corners with four equivalent O(6)Ba4FeW octahedra, corners with five equivalent O(7)Ba4FeW octahedra, corners with eight equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(4)Ba4FeW octahedra, edges with two equivalent O(6)Ba4FeW octahedra,  a faceface with one O(4)Ba4FeW octahedra, faces with two equivalent O(2)Ba4Fe2 octahedra, faces with two equivalent O(5)Ba4Fe2 octahedra, and faces with two equivalent O(1)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one W(1), and one Fe(2) atom to form distorted OBa4FeW octahedra that share  a cornercorner with one O(6)Ba4FeW octahedra, corners with four equivalent O(5)Ba4Fe2 octahedra, corners with five equivalent O(4)Ba4FeW octahedra, corners with eight equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(7)Ba4FeW octahedra, edges with two equivalent O(5)Ba4Fe2 octahedra,  a faceface with one O(7)Ba4FeW octahedra, faces with two equivalent O(2)Ba4Fe2 octahedra, faces with two equivalent O(1)Ba4FeW octahedra, and faces with two equivalent O(6)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), one W(1), and one Fe(1) atom to form distorted OBa4FeW octahedra that share corners with two equivalent O(2)Ba4Fe2 octahedra, corners with two equivalent O(4)Ba4FeW octahedra, corners with four equivalent O(7)Ba4FeW octahedra, corners with five equivalent O(5)Ba4Fe2 octahedra, corners with six equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(6)Ba4FeW octahedra,  an edgeedge with one O(7)Ba4FeW octahedra, edges with two equivalent O(4)Ba4FeW octahedra,  a faceface with one O(6)Ba4FeW octahedra, faces with two equivalent O(4)Ba4FeW octahedra, and faces with four equivalent O(1)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 1-64°.
Ba5W2Fe3O15 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(4), and four equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.89 Å. All Ba(1)-O(4) bond lengths are 2.90 Å. All Ba(1)-O(7) bond lengths are 2.91 Å. In the second Ba site, Ba(2) is bonded to one O(2), one O(4), one O(7), two equivalent O(3), two equivalent O(5), two equivalent O(6), and three equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with nine equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with five equivalent Ba(2)O12 cuboctahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. The Ba(2)-O(2) bond length is 2.82 Å. The Ba(2)-O(4) bond length is 2.93 Å. The Ba(2)-O(7) bond length is 2.99 Å. There is one shorter (2.92 Å) and one longer (2.98 Å) Ba(2)-O(3) bond length. Both Ba(2)-O(5) bond lengths are 2.82 Å. There is one shorter (2.91 Å) and one longer (2.92 Å) Ba(2)-O(6) bond length. There are two shorter (2.91 Å) and one longer (2.99 Å) Ba(2)-O(1) bond length. W(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form WO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The W(1)-O(3) bond length is 1.96 Å. The W(1)-O(4) bond length is 1.96 Å. The W(1)-O(6) bond length is 1.97 Å. The W(1)-O(7) bond length is 1.98 Å. Both W(1)-O(1) bond lengths are 1.96 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with five equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. The Fe(1)-O(3) bond length is 2.12 Å. The Fe(1)-O(4) bond length is 2.18 Å. The Fe(1)-O(5) bond length is 1.99 Å. The Fe(1)-O(7) bond length is 2.16 Å. Both Fe(1)-O(1) bond lengths are 2.16 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(2)-O(2) bond lengths are 1.98 Å. All Fe(2)-O(6) bond lengths are 2.13 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Fe(3)-O(2) bond lengths are 2.14 Å. All Fe(3)-O(5) bond lengths are 2.07 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), three equivalent Ba(2), one W(1), and one Fe(1) atom to form distorted OBa4FeW octahedra that share  a cornercorner with one O(2)Ba4Fe2 octahedra, corners with three equivalent O(4)Ba4FeW octahedra, corners with three equivalent O(7)Ba4FeW octahedra, corners with four equivalent O(5)Ba4Fe2 octahedra, corners with four equivalent O(6)Ba4FeW octahedra, corners with five equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(2)Ba4Fe2 octahedra, edges with three equivalent O(1)Ba4FeW octahedra,  a faceface with one O(5)Ba4Fe2 octahedra,  a faceface with one O(6)Ba4FeW octahedra, faces with two equivalent O(4)Ba4FeW octahedra, and faces with two equivalent O(7)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Fe(2), and one Fe(3) atom to form distorted OBa4Fe2 octahedra that share corners with two equivalent O(2)Ba4Fe2 octahedra, corners with four equivalent O(1)Ba4FeW octahedra, corners with four equivalent O(4)Ba4FeW octahedra, corners with four equivalent O(7)Ba4FeW octahedra, edges with four equivalent O(1)Ba4FeW octahedra, faces with four equivalent O(5)Ba4Fe2 octahedra, and faces with four equivalent O(6)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(2), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), one W(1), and one Fe(1) atom to form distorted OBa4FeW octahedra that share corners with two equivalent O(2)Ba4Fe2 octahedra, corners with two equivalent O(7)Ba4FeW octahedra, corners with four equivalent O(4)Ba4FeW octahedra, corners with five equivalent O(6)Ba4FeW octahedra, corners with six equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(5)Ba4Fe2 octahedra,  an edgeedge with one O(4)Ba4FeW octahedra, edges with two equivalent O(7)Ba4FeW octahedra,  a faceface with one O(5)Ba4Fe2 octahedra, faces with two equivalent O(7)Ba4FeW octahedra, and faces with four equivalent O(1)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fifth O site, O(5) is bonded to four equivalent Ba(2), one Fe(1), and one Fe(3) atom to form distorted OBa4Fe2 octahedra that share  a cornercorner with one O(5)Ba4Fe2 octahedra, corners with four equivalent O(6)Ba4FeW octahedra, corners with five equivalent O(7)Ba4FeW octahedra, corners with eight equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(4)Ba4FeW octahedra, edges with two equivalent O(6)Ba4FeW octahedra,  a faceface with one O(4)Ba4FeW octahedra, faces with two equivalent O(2)Ba4Fe2 octahedra, faces with two equivalent O(5)Ba4Fe2 octahedra, and faces with two equivalent O(1)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one W(1), and one Fe(2) atom to form distorted OBa4FeW octahedra that share  a cornercorner with one O(6)Ba4FeW octahedra, corners with four equivalent O(5)Ba4Fe2 octahedra, corners with five equivalent O(4)Ba4FeW octahedra, corners with eight equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(7)Ba4FeW octahedra, edges with two equivalent O(5)Ba4Fe2 octahedra,  a faceface with one O(7)Ba4FeW octahedra, faces with two equivalent O(2)Ba4Fe2 octahedra, faces with two equivalent O(1)Ba4FeW octahedra, and faces with two equivalent O(6)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(2), one W(1), and one Fe(1) atom to form distorted OBa4FeW octahedra that share corners with two equivalent O(2)Ba4Fe2 octahedra, corners with two equivalent O(4)Ba4FeW octahedra, corners with four equivalent O(7)Ba4FeW octahedra, corners with five equivalent O(5)Ba4Fe2 octahedra, corners with six equivalent O(1)Ba4FeW octahedra,  an edgeedge with one O(6)Ba4FeW octahedra,  an edgeedge with one O(7)Ba4FeW octahedra, edges with two equivalent O(4)Ba4FeW octahedra,  a faceface with one O(6)Ba4FeW octahedra, faces with two equivalent O(4)Ba4FeW octahedra, and faces with four equivalent O(1)Ba4FeW octahedra. The corner-sharing octahedral tilt angles range from 1-64°.