Sr5MoFe4O15 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(4), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra, corners with five equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with three equivalent Fe(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(3), two equivalent O(2), two equivalent O(6), three equivalent O(4), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent Fe(1)O6 octahedra, and faces with four equivalent Fe(2)O6 octahedra. Mo(1) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(3)Sr4FeMo octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with six equivalent O(5)Sr4Fe2 octahedra, corners with eight equivalent O(6)Sr4FeMo octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(6)Sr4FeMo octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(5)Sr4Fe2 octahedra, and faces with two equivalent O(3)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 3-63°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Fe(2) atom to form distorted OSr4FeMo octahedra that share corners with two equivalent O(2)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)Sr4FeMo octahedra, corners with six equivalent O(6)Sr4FeMo octahedra, corners with eight equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(5)Sr4Fe2 octahedra, and faces with four equivalent O(6)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded to one Sr(2), three equivalent Sr(3), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with two equivalent O(3)Sr4FeMo octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with six equivalent O(5)Sr4Fe2 octahedra, corners with six equivalent O(6)Sr4FeMo octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(3)Sr4FeMo octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr4FeMo octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share corners with three equivalent O(2)Sr4Fe2 octahedra, corners with three equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(3)Sr4FeMo octahedra, corners with seven equivalent O(6)Sr4FeMo octahedra,  an edgeedge with one O(2)Sr4Fe2 octahedra,  an edgeedge with one O(5)Sr4Fe2 octahedra, edges with two equivalent O(6)Sr4FeMo octahedra,  a faceface with one O(2)Sr4Fe2 octahedra,  a faceface with one O(3)Sr4FeMo octahedra,  a faceface with one O(6)Sr4FeMo octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share corners with three equivalent O(4)Sr4Fe2 octahedra, corners with three equivalent O(3)Sr4FeMo octahedra, corners with three equivalent O(6)Sr4FeMo octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with seven equivalent O(5)Sr4Fe2 octahedra,  an edgeedge with one O(2)Sr4Fe2 octahedra,  an edgeedge with one O(6)Sr4FeMo octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra,  a faceface with one O(4)Sr4Fe2 octahedra,  a faceface with one O(5)Sr4Fe2 octahedra, faces with two equivalent O(3)Sr4FeMo octahedra, and faces with three equivalent O(6)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-64°.
Sr5MoFe4O15 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Both Sr(1)-O(1) bond lengths are 2.80 Å. Both Sr(1)-O(3) bond lengths are 2.83 Å. All Sr(1)-O(5) bond lengths are 2.79 Å. All Sr(1)-O(6) bond lengths are 2.78 Å. In the second Sr site, Sr(2) is bonded to one O(1), one O(4), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra, corners with five equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with three equivalent Fe(1)O6 octahedra, and faces with three equivalent Fe(2)O6 octahedra. The Sr(2)-O(1) bond length is 2.82 Å. The Sr(2)-O(4) bond length is 2.77 Å. Both Sr(2)-O(2) bond lengths are 2.71 Å. Both Sr(2)-O(3) bond lengths are 2.80 Å. Both Sr(2)-O(5) bond lengths are 2.72 Å. There are two shorter (2.87 Å) and two longer (2.89 Å) Sr(2)-O(6) bond lengths. In the third Sr site, Sr(3) is bonded to one O(3), two equivalent O(2), two equivalent O(6), three equivalent O(4), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent Fe(1)O6 octahedra, and faces with four equivalent Fe(2)O6 octahedra. The Sr(3)-O(3) bond length is 2.85 Å. Both Sr(3)-O(2) bond lengths are 2.81 Å. Both Sr(3)-O(6) bond lengths are 2.89 Å. There is one shorter (2.74 Å) and two longer (2.80 Å) Sr(3)-O(4) bond lengths. There are two shorter (2.74 Å) and two longer (2.80 Å) Sr(3)-O(5) bond lengths. Mo(1) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. Both Mo(1)-O(3) bond lengths are 1.93 Å. All Mo(1)-O(6) bond lengths are 1.94 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Fe(1)-O(1) bond length is 1.96 Å. The Fe(1)-O(4) bond length is 1.95 Å. Both Fe(1)-O(5) bond lengths are 1.97 Å. Both Fe(1)-O(6) bond lengths are 2.05 Å. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Fe(2)-O(3) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 1.98 Å. Both Fe(2)-O(2) bond lengths are 1.97 Å. Both Fe(2)-O(5) bond lengths are 1.96 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(3)Sr4FeMo octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with six equivalent O(5)Sr4Fe2 octahedra, corners with eight equivalent O(6)Sr4FeMo octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(6)Sr4FeMo octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(5)Sr4Fe2 octahedra, and faces with two equivalent O(3)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 3-63°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Fe(2) atom to form distorted OSr4FeMo octahedra that share corners with two equivalent O(2)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)Sr4FeMo octahedra, corners with six equivalent O(6)Sr4FeMo octahedra, corners with eight equivalent O(5)Sr4Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(5)Sr4Fe2 octahedra, and faces with four equivalent O(6)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded to one Sr(2), three equivalent Sr(3), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with two equivalent O(3)Sr4FeMo octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with six equivalent O(5)Sr4Fe2 octahedra, corners with six equivalent O(6)Sr4FeMo octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(3)Sr4FeMo octahedra, faces with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr4FeMo octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share corners with three equivalent O(2)Sr4Fe2 octahedra, corners with three equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(3)Sr4FeMo octahedra, corners with seven equivalent O(6)Sr4FeMo octahedra,  an edgeedge with one O(2)Sr4Fe2 octahedra,  an edgeedge with one O(5)Sr4Fe2 octahedra, edges with two equivalent O(6)Sr4FeMo octahedra,  a faceface with one O(2)Sr4Fe2 octahedra,  a faceface with one O(3)Sr4FeMo octahedra,  a faceface with one O(6)Sr4FeMo octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share corners with three equivalent O(4)Sr4Fe2 octahedra, corners with three equivalent O(3)Sr4FeMo octahedra, corners with three equivalent O(6)Sr4FeMo octahedra, corners with four equivalent O(2)Sr4Fe2 octahedra, corners with seven equivalent O(5)Sr4Fe2 octahedra,  an edgeedge with one O(2)Sr4Fe2 octahedra,  an edgeedge with one O(6)Sr4FeMo octahedra, edges with two equivalent O(5)Sr4Fe2 octahedra,  a faceface with one O(4)Sr4Fe2 octahedra,  a faceface with one O(5)Sr4Fe2 octahedra, faces with two equivalent O(3)Sr4FeMo octahedra, and faces with three equivalent O(6)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-64°.