Ca2WFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(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 six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. O(1) is bonded to four equivalent Ca(1), one W(1), and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-63°.
Ca2WFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. There are a spread of Ca(1)-O(1) bond distances ranging from 2.70-2.90 Å. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. All W(1)-O(1) bond lengths are 1.95 Å. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. All Fe(1)-O(1) bond lengths are 2.01 Å. O(1) is bonded to four equivalent Ca(1), one W(1), and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-63°.