Sr4WMoFe2O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(4), one O(5), three equivalent O(2), three equivalent O(3), and three equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded to one O(2), one O(3), one O(6), three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. W(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-17°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom to form distorted OSr4FeW octahedra that share corners with three equivalent O(2)Sr4FeMo octahedra, corners with three equivalent O(1)Sr4FeW octahedra, edges with two equivalent O(2)Sr4FeMo octahedra, and edges with two equivalent O(1)Sr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Sr(2), three equivalent Sr(1), one Mo(1), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share corners with three equivalent O(2)Sr4FeMo octahedra, corners with three equivalent O(1)Sr4FeW octahedra, edges with two equivalent O(2)Sr4FeMo octahedra, and edges with two equivalent O(1)Sr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Mo(1), and one Fe(1) atom.
Sr4WMoFe2O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(4), one O(5), three equivalent O(2), three equivalent O(3), and three equivalent O(6) atoms. The Sr(1)-O(1) bond length is 2.91 Å. The Sr(1)-O(4) bond length is 3.18 Å. The Sr(1)-O(5) bond length is 2.78 Å. There are a spread of Sr(1)-O(2) bond distances ranging from 2.78-2.84 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.63-3.08 Å. There are a spread of Sr(1)-O(6) bond distances ranging from 2.67-3.05 Å. In the second Sr site, Sr(2) is bonded to one O(2), one O(3), one O(6), three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. The Sr(2)-O(2) bond length is 2.68 Å. The Sr(2)-O(3) bond length is 2.91 Å. The Sr(2)-O(6) bond length is 2.56 Å. There are a spread of Sr(2)-O(1) bond distances ranging from 2.80-2.92 Å. There are a spread of Sr(2)-O(4) bond distances ranging from 2.69-3.06 Å. There are a spread of Sr(2)-O(5) bond distances ranging from 2.66-3.12 Å. W(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. Both W(1)-O(1) bond lengths are 1.95 Å. Both W(1)-O(4) bond lengths are 1.95 Å. Both W(1)-O(5) bond lengths are 1.95 Å. Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-17°. Both Mo(1)-O(2) bond lengths are 2.12 Å. Both Mo(1)-O(3) bond lengths are 2.03 Å. Both Mo(1)-O(6) bond lengths are 2.04 Å. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. The Fe(1)-O(1) bond length is 2.15 Å. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(3) bond length is 1.98 Å. The Fe(1)-O(4) bond length is 2.09 Å. The Fe(1)-O(5) bond length is 2.10 Å. The Fe(1)-O(6) bond length is 1.97 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom to form distorted OSr4FeW octahedra that share corners with three equivalent O(2)Sr4FeMo octahedra, corners with three equivalent O(1)Sr4FeW octahedra, edges with two equivalent O(2)Sr4FeMo octahedra, and edges with two equivalent O(1)Sr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Sr(2), three equivalent Sr(1), one Mo(1), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share corners with three equivalent O(2)Sr4FeMo octahedra, corners with three equivalent O(1)Sr4FeW octahedra, edges with two equivalent O(2)Sr4FeMo octahedra, and edges with two equivalent O(1)Sr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Mo(1), and one Fe(1) atom.