BaYMn4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. Y(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YO6 octahedra that share corners with three equivalent Mn(2)O4 tetrahedra and corners with nine equivalent Mn(1)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with two equivalent Mn(2)O4 tetrahedra, and corners with four equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Mn site, Mn(2) is bonded to one O(2) and three equivalent O(1) atoms to form MnO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra and corners with six equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Mn(2) and three equivalent Mn(1) atoms to form corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded to one Ba(1), one Y(1), and two equivalent Mn(1) atoms to form distorted OBaYMn2 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)BaYMn2 trigonal pyramids, and edges with two equivalent O(3)BaYMn2 trigonal pyramids.
BaYMn4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. All Ba(1)-O(3) bond lengths are 2.90 Å. All Ba(1)-O(1) bond lengths are 3.29 Å. Y(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YO6 octahedra that share corners with three equivalent Mn(2)O4 tetrahedra and corners with nine equivalent Mn(1)O4 tetrahedra. All Y(1)-O(1) bond lengths are 2.30 Å. All Y(1)-O(3) bond lengths are 2.29 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with two equivalent Mn(2)O4 tetrahedra, and corners with four equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Mn(1)-O(1) bond length is 2.02 Å. The Mn(1)-O(2) bond length is 2.04 Å. Both Mn(1)-O(3) bond lengths are 2.03 Å. In the second Mn site, Mn(2) is bonded to one O(2) and three equivalent O(1) atoms to form MnO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra and corners with six equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Mn(2)-O(2) bond length is 2.07 Å. All Mn(2)-O(1) bond lengths are 2.03 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Mn(2) and three equivalent Mn(1) atoms to form corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded to one Ba(1), one Y(1), and two equivalent Mn(1) atoms to form distorted OBaYMn2 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)BaYMn2 trigonal pyramids, and edges with two equivalent O(3)BaYMn2 trigonal pyramids.