Sr4MoFe3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with six equivalent Fe(1)O6 octahedra. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(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 Sr(1), one Mo(1), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share corners with eight equivalent O(2)Sr4Fe2 octahedra, corners with fourteen equivalent O(1)Sr4FeMo octahedra, edges with four equivalent O(2)Sr4Fe2 octahedra, faces with four equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with eight equivalent O(1)Sr4FeMo octahedra, corners with fourteen equivalent O(2)Sr4Fe2 octahedra, edges with four equivalent O(1)Sr4FeMo octahedra, faces with four equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
Sr4MoFe3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with six equivalent Fe(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.81 Å. All Sr(1)-O(2) bond lengths are 2.81 Å. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Mo(1)-O(1) bond lengths are 1.93 Å. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(1)-O(1) bond lengths are 2.04 Å. All Fe(1)-O(2) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mo(1), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share corners with eight equivalent O(2)Sr4Fe2 octahedra, corners with fourteen equivalent O(1)Sr4FeMo octahedra, edges with four equivalent O(2)Sr4Fe2 octahedra, faces with four equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with eight equivalent O(1)Sr4FeMo octahedra, corners with fourteen equivalent O(2)Sr4Fe2 octahedra, edges with four equivalent O(1)Sr4FeMo octahedra, faces with four equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°.