The material structure described by Mn3Fe5O12 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(21), one O(22), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(18), one O(22), one O(3), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(2), one O(20), one O(23), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(2), one O(3), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(15), one O(16), one O(19), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(15), one O(18), one O(20), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(22), one O(23), one O(4), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the second Fe site, Fe(2) is bonded to one O(13), one O(14), one O(5), one O(6), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the third Fe site, Fe(3) is bonded to one O(12), one O(13), one O(17), one O(20), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(15), one O(18), one O(19), one O(4), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(16), one O(17), one O(19), and one O(21) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-66°. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(18), one O(2), one O(20), one O(24), and one O(3) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(17), one O(21), one O(24), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(14), one O(16), one O(21), one O(4), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(17), one O(19), one O(22), one O(23), and one O(24) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the tenth Fe site, Fe(10) is bonded to one O(14), one O(16), one O(23), one O(24), one O(3), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(4), one Fe(1), and one Fe(7) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Fe(6) atom to form distorted OMn3Fe tetrahedra that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(11)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Fe(10), and one Fe(6) atom to form OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(18)Mn2Fe2 tetrahedra,  an edgeedge with one O(2)Mn3Fe tetrahedra,  an edgeedge with one O(24)Fe4 trigonal pyramid, and  an edgeedge with one O(14)MnFe3 trigonal pyramid. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(3), one Fe(1), one Fe(4), and one Fe(8) atom. In the fifth O site, O(5) is bonded to one Mn(6), one Fe(10), one Fe(2), and one Fe(7) atom to form OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn3Fe tetrahedra,  an edgeedge with one O(9)MnFe3 tetrahedra,  an edgeedge with one O(24)Fe4 trigonal pyramid, and  an edgeedge with one O(14)MnFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mn(4), one Mn(5), one Fe(2), and one Fe(3) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn3Fe tetrahedra,  an edgeedge with one O(9)MnFe3 tetrahedra,  an edgeedge with one O(12)MnFe3 trigonal pyramid, and  an edgeedge with one O(13)MnFe3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(5), one Mn(6), and one Fe(2) atom to form distorted OMn3Fe tetrahedra that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(15)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(5)MnFe3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Mn(2), one Fe(1), one Fe(3), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(12)MnFe3 trigonal pyramid, and  an edgeedge with one O(14)MnFe3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Mn(4), one Fe(2), one Fe(4), and one Fe(7) atom to form OMnFe3 tetrahedra that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(11)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(5)MnFe3 trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(6), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Mn(3), one Mn(4), one Fe(4), and one Fe(5) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn3Fe tetrahedra, and  an edgeedge with one O(9)MnFe3 tetrahedra. In the twelfth O site, O(12) is bonded to one Mn(5), one Fe(3), one Fe(6), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(8)MnFe3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mn(3), one Fe(2), one Fe(3), and one Fe(9) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(23)MnFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mn(2), one Fe(10), one Fe(2), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(5)MnFe3 trigonal pyramid, and  an edgeedge with one O(8)MnFe3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Mn(5), one Mn(6), one Fe(1), and one Fe(4) atom to form OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(18)Mn2Fe2 tetrahedra, and  an edgeedge with one O(7)Mn3Fe tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Mn(5), one Fe(10), one Fe(5), and one Fe(8) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(5), one Fe(7), and one Fe(9) atom. In the eighteenth O site, O(18) is bonded to one Mn(2), one Mn(6), one Fe(4), and one Fe(6) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(15)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), one Fe(4), one Fe(5), and one Fe(9) atom. In the twentieth O site, O(20) is bonded to one Mn(3), one Mn(6), one Fe(3), and one Fe(6) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(18)Mn2Fe2 tetrahedra,  an edgeedge with one O(2)Mn3Fe tetrahedra,  an edgeedge with one O(12)MnFe3 trigonal pyramid, and  an edgeedge with one O(13)MnFe3 trigonal pyramid. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Fe(5), one Fe(7), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Fe(1), and one Fe(9) atom. In the twenty-third O site, O(23) is bonded to one Mn(3), one Fe(1), one Fe(10), and one Fe(9) atom to form OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(24)Fe4 trigonal pyramid, and  an edgeedge with one O(13)MnFe3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Fe(10), one Fe(6), one Fe(7), and one Fe(9) atom to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(23)MnFe3 trigonal pyramid, and  an edgeedge with one O(5)MnFe3 trigonal pyramid. is represented by the CIF file [CIF]
data_Mn3Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.246
_cell_length_b   8.331
_cell_length_c   8.264
_cell_angle_alpha   109.722
_cell_angle_beta   109.401
_cell_angle_gamma   108.813
_symmetry_Int_Tables_number   1
_cell_volume   439.570
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.783  0.250  0.036  1.0
  Mn  Mn1  1  0.000  0.004  0.004  1.0
  Mn  Mn2  1  0.502  0.502  0.003  1.0
  Mn  Mn3  1  0.528  0.281  0.253  1.0
  Mn  Mn4  1  0.502  0.998  0.500  1.0
  Mn  Mn5  1  0.969  0.221  0.752  1.0
  Fe  Fe6  1  0.748  0.957  0.210  1.0
  Fe  Fe7  1  0.752  0.466  0.714  1.0
  Fe  Fe8  1  0.288  0.250  0.538  1.0
  Fe  Fe9  1  0.713  0.751  0.463  1.0
  Fe  Fe10  1  0.251  0.542  0.290  1.0
  Fe  Fe11  1  0.249  0.037  0.788  1.0
  Fe  Fe12  1  0.998  0.497  0.495  1.0
  Fe  Fe13  1  0.042  0.790  0.251  1.0
  Fe  Fe14  1  0.461  0.709  0.748  1.0
  Fe  Fe15  1  0.211  0.749  0.959  1.0
  O  O16  1  0.785  0.224  0.267  1.0
  O  O17  1  0.537  0.258  0.997  1.0
  O  O18  1  0.271  0.046  0.052  1.0
  O  O19  1  0.783  0.735  0.227  1.0
  O  O20  1  0.009  0.460  0.736  1.0
  O  O21  1  0.495  0.231  0.457  1.0
  O  O22  1  0.744  0.246  0.788  1.0
  O  O23  1  0.051  0.048  0.269  1.0
  O  O24  1  0.764  0.530  0.496  1.0
  O  O25  1  0.043  0.265  0.066  1.0
  O  O26  1  0.441  0.497  0.208  1.0
  O  O27  1  0.280  0.000  0.546  1.0
  O  O28  1  0.547  0.497  0.782  1.0
  O  O29  1  0.952  0.737  0.946  1.0
  O  O30  1  0.714  0.004  0.447  1.0
  O  O31  1  0.262  0.758  0.212  1.0
  O  O32  1  0.232  0.453  0.501  1.0
  O  O33  1  0.962  0.969  0.744  1.0
  O  O34  1  0.490  0.773  0.548  1.0
  O  O35  1  0.216  0.262  0.755  1.0
  O  O36  1  0.007  0.557  0.282  1.0
  O  O37  1  0.734  0.935  0.945  1.0
  O  O38  1  0.459  0.740  0.003  1.0
  O  O39  1  0.224  0.774  0.725  1.0
[/CIF]
.
The material structure described by Mn3Fe5O12 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(21), one O(22), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(18), one O(22), one O(3), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(2), one O(20), one O(23), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(2), one O(3), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(15), one O(16), one O(19), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(15), one O(18), one O(20), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(22), one O(23), one O(4), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the second Fe site, Fe(2) is bonded to one O(13), one O(14), one O(5), one O(6), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the third Fe site, Fe(3) is bonded to one O(12), one O(13), one O(17), one O(20), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(15), one O(18), one O(19), one O(4), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(16), one O(17), one O(19), and one O(21) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-66°. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(18), one O(2), one O(20), one O(24), and one O(3) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(17), one O(21), one O(24), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(14), one O(16), one O(21), one O(4), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(17), one O(19), one O(22), one O(23), and one O(24) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the tenth Fe site, Fe(10) is bonded to one O(14), one O(16), one O(23), one O(24), one O(3), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  an edgeedge with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(4), one Fe(1), and one Fe(7) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Fe(6) atom to form distorted OMn3Fe tetrahedra that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(11)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Fe(10), and one Fe(6) atom to form OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(18)Mn2Fe2 tetrahedra,  an edgeedge with one O(2)Mn3Fe tetrahedra,  an edgeedge with one O(24)Fe4 trigonal pyramid, and  an edgeedge with one O(14)MnFe3 trigonal pyramid. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(3), one Fe(1), one Fe(4), and one Fe(8) atom. In the fifth O site, O(5) is bonded to one Mn(6), one Fe(10), one Fe(2), and one Fe(7) atom to form OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn3Fe tetrahedra,  an edgeedge with one O(9)MnFe3 tetrahedra,  an edgeedge with one O(24)Fe4 trigonal pyramid, and  an edgeedge with one O(14)MnFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mn(4), one Mn(5), one Fe(2), and one Fe(3) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn3Fe tetrahedra,  an edgeedge with one O(9)MnFe3 tetrahedra,  an edgeedge with one O(12)MnFe3 trigonal pyramid, and  an edgeedge with one O(13)MnFe3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(5), one Mn(6), and one Fe(2) atom to form distorted OMn3Fe tetrahedra that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(15)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(5)MnFe3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Mn(2), one Fe(1), one Fe(3), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(12)MnFe3 trigonal pyramid, and  an edgeedge with one O(14)MnFe3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Mn(4), one Fe(2), one Fe(4), and one Fe(7) atom to form OMnFe3 tetrahedra that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(11)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(5)MnFe3 trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(6), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Mn(3), one Mn(4), one Fe(4), and one Fe(5) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn3Fe tetrahedra, and  an edgeedge with one O(9)MnFe3 tetrahedra. In the twelfth O site, O(12) is bonded to one Mn(5), one Fe(3), one Fe(6), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(8)MnFe3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mn(3), one Fe(2), one Fe(3), and one Fe(9) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(23)MnFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mn(2), one Fe(10), one Fe(2), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(5)MnFe3 trigonal pyramid, and  an edgeedge with one O(8)MnFe3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Mn(5), one Mn(6), one Fe(1), and one Fe(4) atom to form OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(18)Mn2Fe2 tetrahedra, and  an edgeedge with one O(7)Mn3Fe tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Mn(5), one Fe(10), one Fe(5), and one Fe(8) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(5), one Fe(7), and one Fe(9) atom. In the eighteenth O site, O(18) is bonded to one Mn(2), one Mn(6), one Fe(4), and one Fe(6) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(15)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(20)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), one Fe(4), one Fe(5), and one Fe(9) atom. In the twentieth O site, O(20) is bonded to one Mn(3), one Mn(6), one Fe(3), and one Fe(6) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Mn3Fe tetrahedra,  a cornercorner with one O(24)Fe4 trigonal pyramid,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(23)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(18)Mn2Fe2 tetrahedra,  an edgeedge with one O(2)Mn3Fe tetrahedra,  an edgeedge with one O(12)MnFe3 trigonal pyramid, and  an edgeedge with one O(13)MnFe3 trigonal pyramid. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Fe(5), one Fe(7), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Fe(1), and one Fe(9) atom. In the twenty-third O site, O(23) is bonded to one Mn(3), one Fe(1), one Fe(10), and one Fe(9) atom to form OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(11)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(15)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(3)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  a cornercorner with one O(5)MnFe3 trigonal pyramid,  a cornercorner with one O(8)MnFe3 trigonal pyramid,  an edgeedge with one O(24)Fe4 trigonal pyramid, and  an edgeedge with one O(13)MnFe3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Fe(10), one Fe(6), one Fe(7), and one Fe(9) atom to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(18)Mn2Fe2 tetrahedra,  a cornercorner with one O(2)Mn3Fe tetrahedra,  a cornercorner with one O(9)MnFe3 tetrahedra,  a cornercorner with one O(20)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(12)MnFe3 trigonal pyramid,  a cornercorner with one O(13)MnFe3 trigonal pyramid,  a cornercorner with one O(14)MnFe3 trigonal pyramid,  an edgeedge with one O(3)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(23)MnFe3 trigonal pyramid, and  an edgeedge with one O(5)MnFe3 trigonal pyramid. is represented by the CIF file [CIF]
data_Mn3Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.246
_cell_length_b   8.331
_cell_length_c   8.264
_cell_angle_alpha   109.722
_cell_angle_beta   109.401
_cell_angle_gamma   108.813
_symmetry_Int_Tables_number   1
_cell_volume   439.570
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.783  0.250  0.036  1.0
  Mn  Mn1  1  0.000  0.004  0.004  1.0
  Mn  Mn2  1  0.502  0.502  0.003  1.0
  Mn  Mn3  1  0.528  0.281  0.253  1.0
  Mn  Mn4  1  0.502  0.998  0.500  1.0
  Mn  Mn5  1  0.969  0.221  0.752  1.0
  Fe  Fe6  1  0.748  0.957  0.210  1.0
  Fe  Fe7  1  0.752  0.466  0.714  1.0
  Fe  Fe8  1  0.288  0.250  0.538  1.0
  Fe  Fe9  1  0.713  0.751  0.463  1.0
  Fe  Fe10  1  0.251  0.542  0.290  1.0
  Fe  Fe11  1  0.249  0.037  0.788  1.0
  Fe  Fe12  1  0.998  0.497  0.495  1.0
  Fe  Fe13  1  0.042  0.790  0.251  1.0
  Fe  Fe14  1  0.461  0.709  0.748  1.0
  Fe  Fe15  1  0.211  0.749  0.959  1.0
  O  O16  1  0.785  0.224  0.267  1.0
  O  O17  1  0.537  0.258  0.997  1.0
  O  O18  1  0.271  0.046  0.052  1.0
  O  O19  1  0.783  0.735  0.227  1.0
  O  O20  1  0.009  0.460  0.736  1.0
  O  O21  1  0.495  0.231  0.457  1.0
  O  O22  1  0.744  0.246  0.788  1.0
  O  O23  1  0.051  0.048  0.269  1.0
  O  O24  1  0.764  0.530  0.496  1.0
  O  O25  1  0.043  0.265  0.066  1.0
  O  O26  1  0.441  0.497  0.208  1.0
  O  O27  1  0.280  0.000  0.546  1.0
  O  O28  1  0.547  0.497  0.782  1.0
  O  O29  1  0.952  0.737  0.946  1.0
  O  O30  1  0.714  0.004  0.447  1.0
  O  O31  1  0.262  0.758  0.212  1.0
  O  O32  1  0.232  0.453  0.501  1.0
  O  O33  1  0.962  0.969  0.744  1.0
  O  O34  1  0.490  0.773  0.548  1.0
  O  O35  1  0.216  0.262  0.755  1.0
  O  O36  1  0.007  0.557  0.282  1.0
  O  O37  1  0.734  0.935  0.945  1.0
  O  O38  1  0.459  0.740  0.003  1.0
  O  O39  1  0.224  0.774  0.725  1.0
[/CIF]
.