YbMnO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Yb site, Yb(2) is bonded to one O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted YbO7 pentagonal bipyramids that share corners with three equivalent Mn(1)O5 trigonal bipyramids and edges with three equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Yb(2)O7 pentagonal bipyramid, corners with six equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Yb(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1) and three equivalent Mn(1) atoms to form distorted OYbMn3 trigonal pyramids that share corners with six equivalent O(3)Yb3Mn tetrahedra, corners with three equivalent O(1)YbMn3 trigonal pyramids, corners with three equivalent O(2)YbMn3 trigonal pyramids, and edges with three equivalent O(4)Yb3Mn tetrahedra. In the second O site, O(2) is bonded to one Yb(2) and three equivalent Mn(1) atoms to form OYbMn3 trigonal pyramids that share corners with six equivalent O(4)Yb3Mn tetrahedra, corners with six equivalent O(1)YbMn3 trigonal pyramids, and edges with three equivalent O(3)Yb3Mn tetrahedra. In the third O site, O(3) is bonded to one Yb(2), two equivalent Yb(1), and one Mn(1) atom to form distorted OYb3Mn tetrahedra that share corners with four equivalent O(4)Yb3Mn tetrahedra, corners with six equivalent O(3)Yb3Mn tetrahedra, corners with four equivalent O(1)YbMn3 trigonal pyramids, edges with three equivalent O(4)Yb3Mn tetrahedra, and  an edgeedge with one O(2)YbMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Yb(2), two equivalent Yb(1), and one Mn(1) atom to form distorted OYb3Mn tetrahedra that share corners with four equivalent O(3)Yb3Mn tetrahedra, corners with six equivalent O(4)Yb3Mn tetrahedra, corners with two equivalent O(2)YbMn3 trigonal pyramids, edges with three equivalent O(3)Yb3Mn tetrahedra, and edges with two equivalent O(1)YbMn3 trigonal pyramids.
YbMnO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. The Yb(1)-O(1) bond length is 2.56 Å. All Yb(1)-O(3) bond lengths are 2.32 Å. All Yb(1)-O(4) bond lengths are 2.30 Å. In the second Yb site, Yb(2) is bonded to one O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted YbO7 pentagonal bipyramids that share corners with three equivalent Mn(1)O5 trigonal bipyramids and edges with three equivalent Mn(1)O5 trigonal bipyramids. The Yb(2)-O(2) bond length is 2.39 Å. All Yb(2)-O(3) bond lengths are 2.34 Å. All Yb(2)-O(4) bond lengths are 2.30 Å. Mn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Yb(2)O7 pentagonal bipyramid, corners with six equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Yb(2)O7 pentagonal bipyramid. The Mn(1)-O(2) bond length is 2.03 Å. The Mn(1)-O(3) bond length is 1.84 Å. The Mn(1)-O(4) bond length is 1.85 Å. Both Mn(1)-O(1) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1) and three equivalent Mn(1) atoms to form distorted OYbMn3 trigonal pyramids that share corners with six equivalent O(3)Yb3Mn tetrahedra, corners with three equivalent O(1)YbMn3 trigonal pyramids, corners with three equivalent O(2)YbMn3 trigonal pyramids, and edges with three equivalent O(4)Yb3Mn tetrahedra. In the second O site, O(2) is bonded to one Yb(2) and three equivalent Mn(1) atoms to form OYbMn3 trigonal pyramids that share corners with six equivalent O(4)Yb3Mn tetrahedra, corners with six equivalent O(1)YbMn3 trigonal pyramids, and edges with three equivalent O(3)Yb3Mn tetrahedra. In the third O site, O(3) is bonded to one Yb(2), two equivalent Yb(1), and one Mn(1) atom to form distorted OYb3Mn tetrahedra that share corners with four equivalent O(4)Yb3Mn tetrahedra, corners with six equivalent O(3)Yb3Mn tetrahedra, corners with four equivalent O(1)YbMn3 trigonal pyramids, edges with three equivalent O(4)Yb3Mn tetrahedra, and  an edgeedge with one O(2)YbMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Yb(2), two equivalent Yb(1), and one Mn(1) atom to form distorted OYb3Mn tetrahedra that share corners with four equivalent O(3)Yb3Mn tetrahedra, corners with six equivalent O(4)Yb3Mn tetrahedra, corners with two equivalent O(2)YbMn3 trigonal pyramids, edges with three equivalent O(3)Yb3Mn tetrahedra, and edges with two equivalent O(1)YbMn3 trigonal pyramids.