YbFeMnO5 crystallizes in the orthorhombic Pbam space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Fe(1)O5 square pyramids and edges with two equivalent Mn(1)O6 octahedra. Fe(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form FeO5 square pyramids that share corners with four equivalent Mn(1)O6 octahedra and  an edgeedge with one Fe(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1), one Mn(1), and one Fe(1) atom to form distorted OYb2MnFe trigonal pyramids that share corners with two equivalent O(3)Yb2Mn2 trigonal pyramids, corners with four equivalent O(2)Yb2Fe2 trigonal pyramids, corners with six equivalent O(1)Yb2MnFe trigonal pyramids,  an edgeedge with one O(2)Yb2Fe2 trigonal pyramid,  an edgeedge with one O(1)Yb2MnFe trigonal pyramid, and edges with two equivalent O(3)Yb2Mn2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Yb(1) and two equivalent Fe(1) atoms to form distorted OYb2Fe2 trigonal pyramids that share corners with four equivalent O(3)Yb2Mn2 trigonal pyramids, corners with eight equivalent O(1)Yb2MnFe trigonal pyramids, edges with two equivalent O(2)Yb2Fe2 trigonal pyramids, and edges with two equivalent O(1)Yb2MnFe trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Yb(1) and two equivalent Mn(1) atoms to form distorted OYb2Mn2 trigonal pyramids that share corners with two equivalent O(3)Yb2Mn2 trigonal pyramids, corners with four equivalent O(2)Yb2Fe2 trigonal pyramids, corners with four equivalent O(1)Yb2MnFe trigonal pyramids,  an edgeedge with one O(3)Yb2Mn2 trigonal pyramid, and edges with four equivalent O(1)Yb2MnFe trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom.
YbFeMnO5 crystallizes in the orthorhombic Pbam space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Yb(1)-O(2) bond lengths are 2.39 Å. There is one shorter (2.32 Å) and one longer (2.41 Å) Yb(1)-O(3) bond length. There are two shorter (2.39 Å) and two longer (2.48 Å) Yb(1)-O(1) bond lengths. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Fe(1)O5 square pyramids and edges with two equivalent Mn(1)O6 octahedra. Both Mn(1)-O(1) bond lengths are 1.93 Å. Both Mn(1)-O(3) bond lengths are 1.90 Å. Both Mn(1)-O(4) bond lengths are 1.94 Å. Fe(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form FeO5 square pyramids that share corners with four equivalent Mn(1)O6 octahedra and  an edgeedge with one Fe(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-55°. The Fe(1)-O(4) bond length is 1.86 Å. Both Fe(1)-O(1) bond lengths are 1.85 Å. Both Fe(1)-O(2) bond lengths are 1.88 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1), one Mn(1), and one Fe(1) atom to form distorted OYb2MnFe trigonal pyramids that share corners with two equivalent O(3)Yb2Mn2 trigonal pyramids, corners with four equivalent O(2)Yb2Fe2 trigonal pyramids, corners with six equivalent O(1)Yb2MnFe trigonal pyramids,  an edgeedge with one O(2)Yb2Fe2 trigonal pyramid,  an edgeedge with one O(1)Yb2MnFe trigonal pyramid, and edges with two equivalent O(3)Yb2Mn2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Yb(1) and two equivalent Fe(1) atoms to form distorted OYb2Fe2 trigonal pyramids that share corners with four equivalent O(3)Yb2Mn2 trigonal pyramids, corners with eight equivalent O(1)Yb2MnFe trigonal pyramids, edges with two equivalent O(2)Yb2Fe2 trigonal pyramids, and edges with two equivalent O(1)Yb2MnFe trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Yb(1) and two equivalent Mn(1) atoms to form distorted OYb2Mn2 trigonal pyramids that share corners with two equivalent O(3)Yb2Mn2 trigonal pyramids, corners with four equivalent O(2)Yb2Fe2 trigonal pyramids, corners with four equivalent O(1)Yb2MnFe trigonal pyramids,  an edgeedge with one O(3)Yb2Mn2 trigonal pyramid, and edges with four equivalent O(1)Yb2MnFe trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom.