Ba2FeWO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one W(1), and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one W(1), and one Fe(1) atom.
Ba2FeWO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. All Ba(1)-O(2) bond lengths are 2.96 Å. All Ba(1)-O(1) bond lengths are 2.92 Å. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both W(1)-O(2) bond lengths are 1.97 Å. All W(1)-O(1) bond lengths are 1.96 Å. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(1)-O(2) bond lengths are 2.09 Å. All Fe(1)-O(1) bond lengths are 2.23 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one W(1), and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one W(1), and one Fe(1) atom.