BaFeO2F is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to eight equivalent O(1) and four equivalent F(1) atoms to form BaO8F4 cuboctahedra that share corners with twelve equivalent Ba(1)O8F4 cuboctahedra, faces with six equivalent Ba(1)O8F4 cuboctahedra, and faces with eight equivalent Fe(1)O4F2 octahedra. Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with six equivalent Fe(1)O4F2 octahedra and faces with eight equivalent Ba(1)O8F4 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Fe(1) atoms. F(1) is bonded to four equivalent Ba(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing FBa4Fe2 octahedra. The corner-sharing octahedra are not tilted.
BaFeO2F is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to eight equivalent O(1) and four equivalent F(1) atoms to form BaO8F4 cuboctahedra that share corners with twelve equivalent Ba(1)O8F4 cuboctahedra, faces with six equivalent Ba(1)O8F4 cuboctahedra, and faces with eight equivalent Fe(1)O4F2 octahedra. All Ba(1)-O(1) bond lengths are 2.93 Å. All Ba(1)-F(1) bond lengths are 2.87 Å. Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with six equivalent Fe(1)O4F2 octahedra and faces with eight equivalent Ba(1)O8F4 cuboctahedra. The corner-sharing octahedra are not tilted. All Fe(1)-O(1) bond lengths are 2.03 Å. Both Fe(1)-F(1) bond lengths are 2.11 Å. O(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Fe(1) atoms. F(1) is bonded to four equivalent Ba(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing FBa4Fe2 octahedra. The corner-sharing octahedra are not tilted.