The crystal structure described by FeMnO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(15), one O(17), one O(21), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)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(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(13), one O(2), one O(20), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)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(1)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the third Mn site, Mn(3) is bonded to one O(11), one O(16), one O(20), one O(24), one O(4), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)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 48-64°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(19), one O(3), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(3)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 49-64°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(23), one O(4), one O(5), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(14), one O(2), one O(20), one O(23), and one O(3) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(4)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 47-58°. In the seventh Mn site, Mn(7) is bonded to one O(12), one O(14), one O(16), one O(4), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(13), one O(16), one O(19), one O(6), and one O(8) atom to form MnO6 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 Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(15), one O(2), one O(5), one O(6), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)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(8)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 Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Fe site, Fe(2) is bonded to one O(11), one O(15), one O(18), one O(19), one O(22), 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 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(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)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 47-60°. In the third Fe site, Fe(3) is bonded to one O(1), one O(18), one O(22), one O(24), one O(4), and one O(7) atom to form FeO6 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(4)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(14), one O(16), one O(2), one O(21), and one O(22) 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(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)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 Fe site, Fe(5) is bonded to one O(15), one O(17), one O(18), one O(20), one O(24), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(14), one O(17), one O(22), one O(3), 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(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Mn(4)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, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(13), one O(18), one O(19), one O(21), and one O(23) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)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(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(17), one O(21), one O(23), one O(24), and one O(3) 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(8)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,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(5)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 45-64°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), one Mn(4), one Fe(3), and one Fe(6) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn2Fe2 tetrahedra,  an edgeedge with one O(9)Mn4 tetrahedra, and  an edgeedge with one O(22)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Mn(2), one Mn(6), one Fe(1), and one Fe(4) atom to form OMn2Fe2 tetrahedra that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(20)Mn3Fe tetrahedra,  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(14)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(5)Mn3Fe trigonal pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(6), one Fe(6), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(5), one Mn(7), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(2), one Mn(5), and one Fe(1) atom to form distorted OMn3Fe trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and  an edgeedge with one O(9)Mn4 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(7), one Mn(8), one Fe(1), and one Fe(5) atom to form OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn2Fe2 tetrahedra, and  an edgeedge with one O(16)Mn3Fe trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(4), one Mn(7), one Fe(1), and one Fe(3) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  an edgeedge with one O(1)Mn2Fe2 tetrahedra,  an edgeedge with one O(12)Mn3Fe tetrahedra, and  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), one Mn(8), one Fe(2), and one Fe(6) atom. In the ninth O site, O(9) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted OMn4 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(1)Mn2Fe2 tetrahedra,  an edgeedge with one O(12)Mn3Fe tetrahedra,  an edgeedge with one O(20)Mn3Fe tetrahedra, and  an edgeedge with one O(5)Mn3Fe trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), one Mn(8), one Fe(1), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(5), one Mn(6), and one Fe(2) atom. In the twelfth O site, O(12) is bonded to one Mn(1), one Mn(4), one Mn(7), and one Fe(7) atom to form OMn3Fe tetrahedra that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn2Fe2 tetrahedra,  an edgeedge with one O(9)Mn4 tetrahedra,  an edgeedge with one O(19)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mn(2), one Mn(8), one Fe(4), and one Fe(7) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra,  an edgeedge with one O(19)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(16)Mn3Fe trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mn(6), one Mn(7), one Fe(4), and one Fe(6) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra,  an edgeedge with one O(22)Fe4 trigonal pyramid, and  an edgeedge with one O(16)Mn3Fe trigonal pyramid. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Fe(1), one Fe(2), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded to one Mn(3), one Mn(7), one Mn(8), and one Fe(4) atom to form distorted OMn3Fe trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(14)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Mn(1), one Fe(5), one Fe(6), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(5), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded to one Mn(4), one Mn(8), one Fe(2), and one Fe(7) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(12)Mn3Fe tetrahedra, and  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid. In the twentieth O site, O(20) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Fe(5) atom to form distorted OMn3Fe tetrahedra that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and  an edgeedge with one O(9)Mn4 tetrahedra. In the twenty-first O site, O(21) is bonded to one Mn(1), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  an edgeedge with one O(23)Mn2Fe2 tetrahedra,  an edgeedge with one O(12)Mn3Fe tetrahedra,  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(17)MnFe3 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Fe(6) atom to form OFe4 trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(1)Mn2Fe2 tetrahedra, and  an edgeedge with one O(14)Mn2Fe2 trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Mn(5), one Mn(6), one Fe(7), and one Fe(8) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Mn(3), one Fe(3), one Fe(5), and one Fe(8) atom. is represented by the CIF card [CIF]
data_MnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.243
_cell_length_b   8.262
_cell_length_c   8.267
_cell_angle_alpha   109.349
_cell_angle_beta   108.583
_cell_angle_gamma   109.524
_symmetry_Int_Tables_number   1
_cell_volume   438.417
_cell_formula_units_Z   8
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  0.007  0.005  0.504  1.0
  Mn  Mn1  1  0.251  0.031  0.279  1.0
  Mn  Mn2  1  0.031  0.280  0.251  1.0
  Mn  Mn3  1  0.780  0.750  0.030  1.0
  Mn  Mn4  1  0.280  0.747  0.533  1.0
  Mn  Mn5  1  0.500  0.501  0.493  1.0
  Mn  Mn6  1  0.742  0.466  0.209  1.0
  Mn  Mn7  1  0.497  0.998  0.999  1.0
  Fe  Fe8  1  0.465  0.211  0.749  1.0
  Fe  Fe9  1  0.253  0.541  0.794  1.0
  Fe  Fe10  1  0.999  0.496  0.002  1.0
  Fe  Fe11  1  0.713  0.253  0.462  1.0
  Fe  Fe12  1  0.208  0.249  0.958  1.0
  Fe  Fe13  1  0.966  0.716  0.754  1.0
  Fe  Fe14  1  0.540  0.787  0.250  1.0
  Fe  Fe15  1  0.749  0.960  0.709  1.0
  O  O16  1  0.045  0.777  0.049  1.0
  O  O17  1  0.495  0.273  0.524  1.0
  O  O18  1  0.742  0.742  0.786  1.0
  O  O19  1  0.055  0.541  0.276  1.0
  O  O20  1  0.225  0.946  0.498  1.0
  O  O21  1  0.440  0.205  0.005  1.0
  O  O22  1  0.732  0.447  0.962  1.0
  O  O23  1  0.235  0.788  0.803  1.0
  O  O24  1  0.014  0.056  0.291  1.0
  O  O25  1  0.539  0.979  0.776  1.0
  O  O26  1  0.288  0.520  0.563  1.0
  O  O27  1  0.757  0.718  0.254  1.0
  O  O28  1  0.454  0.992  0.223  1.0
  O  O29  1  0.741  0.511  0.458  1.0
  O  O30  1  0.234  0.286  0.738  1.0
  O  O31  1  0.764  0.222  0.221  1.0
  O  O32  1  0.999  0.950  0.715  1.0
  O  O33  1  0.276  0.550  0.052  1.0
  O  O34  1  0.548  0.780  0.000  1.0
  O  O35  1  0.254  0.275  0.216  1.0
  O  O36  1  0.769  0.047  0.498  1.0
  O  O37  1  0.955  0.457  0.725  1.0
  O  O38  1  0.516  0.723  0.454  1.0
  O  O39  1  0.943  0.221  0.935  1.0
[/CIF]
.
The crystal structure described by FeMnO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(15), one O(17), one O(21), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)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(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(13), one O(2), one O(20), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)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(1)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the third Mn site, Mn(3) is bonded to one O(11), one O(16), one O(20), one O(24), one O(4), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)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 48-64°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(19), one O(3), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(3)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 49-64°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(23), one O(4), one O(5), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(14), one O(2), one O(20), one O(23), and one O(3) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(4)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 47-58°. In the seventh Mn site, Mn(7) is bonded to one O(12), one O(14), one O(16), one O(4), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(13), one O(16), one O(19), one O(6), and one O(8) atom to form MnO6 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 Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(15), one O(2), one O(5), one O(6), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)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(8)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 Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Fe site, Fe(2) is bonded to one O(11), one O(15), one O(18), one O(19), one O(22), 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 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(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)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 47-60°. In the third Fe site, Fe(3) is bonded to one O(1), one O(18), one O(22), one O(24), one O(4), and one O(7) atom to form FeO6 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(4)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(14), one O(16), one O(2), one O(21), and one O(22) 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(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)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 Fe site, Fe(5) is bonded to one O(15), one O(17), one O(18), one O(20), one O(24), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(14), one O(17), one O(22), one O(3), 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(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Mn(4)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, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(13), one O(18), one O(19), one O(21), and one O(23) atom to form distorted FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)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(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(17), one O(21), one O(23), one O(24), and one O(3) 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(8)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,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(5)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 45-64°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), one Mn(4), one Fe(3), and one Fe(6) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn2Fe2 tetrahedra,  an edgeedge with one O(9)Mn4 tetrahedra, and  an edgeedge with one O(22)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Mn(2), one Mn(6), one Fe(1), and one Fe(4) atom to form OMn2Fe2 tetrahedra that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(20)Mn3Fe tetrahedra,  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(14)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(5)Mn3Fe trigonal pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(6), one Fe(6), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(5), one Mn(7), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(2), one Mn(5), and one Fe(1) atom to form distorted OMn3Fe trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and  an edgeedge with one O(9)Mn4 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(7), one Mn(8), one Fe(1), and one Fe(5) atom to form OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn2Fe2 tetrahedra, and  an edgeedge with one O(16)Mn3Fe trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(4), one Mn(7), one Fe(1), and one Fe(3) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  an edgeedge with one O(1)Mn2Fe2 tetrahedra,  an edgeedge with one O(12)Mn3Fe tetrahedra, and  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), one Mn(8), one Fe(2), and one Fe(6) atom. In the ninth O site, O(9) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted OMn4 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(1)Mn2Fe2 tetrahedra,  an edgeedge with one O(12)Mn3Fe tetrahedra,  an edgeedge with one O(20)Mn3Fe tetrahedra, and  an edgeedge with one O(5)Mn3Fe trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), one Mn(8), one Fe(1), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(5), one Mn(6), and one Fe(2) atom. In the twelfth O site, O(12) is bonded to one Mn(1), one Mn(4), one Mn(7), and one Fe(7) atom to form OMn3Fe tetrahedra that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(7)Mn2Fe2 tetrahedra,  an edgeedge with one O(9)Mn4 tetrahedra,  an edgeedge with one O(19)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mn(2), one Mn(8), one Fe(4), and one Fe(7) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra,  an edgeedge with one O(19)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(16)Mn3Fe trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mn(6), one Mn(7), one Fe(4), and one Fe(6) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra,  an edgeedge with one O(22)Fe4 trigonal pyramid, and  an edgeedge with one O(16)Mn3Fe trigonal pyramid. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Fe(1), one Fe(2), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded to one Mn(3), one Mn(7), one Mn(8), and one Fe(4) atom to form distorted OMn3Fe trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid,  an edgeedge with one O(14)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(6)Mn2Fe2 trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Mn(1), one Fe(5), one Fe(6), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(5), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded to one Mn(4), one Mn(8), one Fe(2), and one Fe(7) atom to form distorted OMn2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(12)Mn3Fe tetrahedra, and  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid. In the twentieth O site, O(20) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Fe(5) atom to form distorted OMn3Fe tetrahedra that share  a cornercorner with one O(1)Mn2Fe2 tetrahedra,  a cornercorner with one O(23)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(6)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and  an edgeedge with one O(9)Mn4 tetrahedra. In the twenty-first O site, O(21) is bonded to one Mn(1), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(9)Mn4 tetrahedra,  a cornercorner with one O(22)Fe4 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  an edgeedge with one O(23)Mn2Fe2 tetrahedra,  an edgeedge with one O(12)Mn3Fe tetrahedra,  an edgeedge with one O(13)Mn2Fe2 trigonal pyramid, and  an edgeedge with one O(17)MnFe3 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Fe(6) atom to form OFe4 trigonal pyramids that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(7)Mn2Fe2 tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(16)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid,  a cornercorner with one O(21)MnFe3 trigonal pyramid,  an edgeedge with one O(1)Mn2Fe2 tetrahedra, and  an edgeedge with one O(14)Mn2Fe2 trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Mn(5), one Mn(6), one Fe(7), and one Fe(8) atom to form distorted OMn2Fe2 tetrahedra that share  a cornercorner with one O(2)Mn2Fe2 tetrahedra,  a cornercorner with one O(12)Mn3Fe tetrahedra,  a cornercorner with one O(20)Mn3Fe tetrahedra,  a cornercorner with one O(13)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(14)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(19)Mn2Fe2 trigonal pyramid,  a cornercorner with one O(5)Mn3Fe trigonal pyramid,  a cornercorner with one O(17)MnFe3 trigonal pyramid, and  an edgeedge with one O(21)MnFe3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Mn(3), one Fe(3), one Fe(5), and one Fe(8) atom. is represented by the CIF card [CIF]
data_MnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.243
_cell_length_b   8.262
_cell_length_c   8.267
_cell_angle_alpha   109.349
_cell_angle_beta   108.583
_cell_angle_gamma   109.524
_symmetry_Int_Tables_number   1
_cell_volume   438.417
_cell_formula_units_Z   8
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  0.007  0.005  0.504  1.0
  Mn  Mn1  1  0.251  0.031  0.279  1.0
  Mn  Mn2  1  0.031  0.280  0.251  1.0
  Mn  Mn3  1  0.780  0.750  0.030  1.0
  Mn  Mn4  1  0.280  0.747  0.533  1.0
  Mn  Mn5  1  0.500  0.501  0.493  1.0
  Mn  Mn6  1  0.742  0.466  0.209  1.0
  Mn  Mn7  1  0.497  0.998  0.999  1.0
  Fe  Fe8  1  0.465  0.211  0.749  1.0
  Fe  Fe9  1  0.253  0.541  0.794  1.0
  Fe  Fe10  1  0.999  0.496  0.002  1.0
  Fe  Fe11  1  0.713  0.253  0.462  1.0
  Fe  Fe12  1  0.208  0.249  0.958  1.0
  Fe  Fe13  1  0.966  0.716  0.754  1.0
  Fe  Fe14  1  0.540  0.787  0.250  1.0
  Fe  Fe15  1  0.749  0.960  0.709  1.0
  O  O16  1  0.045  0.777  0.049  1.0
  O  O17  1  0.495  0.273  0.524  1.0
  O  O18  1  0.742  0.742  0.786  1.0
  O  O19  1  0.055  0.541  0.276  1.0
  O  O20  1  0.225  0.946  0.498  1.0
  O  O21  1  0.440  0.205  0.005  1.0
  O  O22  1  0.732  0.447  0.962  1.0
  O  O23  1  0.235  0.788  0.803  1.0
  O  O24  1  0.014  0.056  0.291  1.0
  O  O25  1  0.539  0.979  0.776  1.0
  O  O26  1  0.288  0.520  0.563  1.0
  O  O27  1  0.757  0.718  0.254  1.0
  O  O28  1  0.454  0.992  0.223  1.0
  O  O29  1  0.741  0.511  0.458  1.0
  O  O30  1  0.234  0.286  0.738  1.0
  O  O31  1  0.764  0.222  0.221  1.0
  O  O32  1  0.999  0.950  0.715  1.0
  O  O33  1  0.276  0.550  0.052  1.0
  O  O34  1  0.548  0.780  0.000  1.0
  O  O35  1  0.254  0.275  0.216  1.0
  O  O36  1  0.769  0.047  0.498  1.0
  O  O37  1  0.955  0.457  0.725  1.0
  O  O38  1  0.516  0.723  0.454  1.0
  O  O39  1  0.943  0.221  0.935  1.0
[/CIF]
.