YBaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Y(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Mn(1) atoms.
YBaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. Both Ba(1)-O(2) bond lengths are 2.97 Å. There are two shorter (2.66 Å) and two longer (2.94 Å) Ba(1)-O(3) bond lengths. There are a spread of Ba(1)-O(4) bond distances ranging from 2.66-2.94 Å. Y(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There is one shorter (2.33 Å) and two longer (2.80 Å) Y(1)-O(1) bond lengths. There are two shorter (2.39 Å) and two longer (2.69 Å) Y(1)-O(2) bond lengths. There are two shorter (2.55 Å) and two longer (2.89 Å) Y(1)-O(3) bond lengths. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 2.03 Å. There is one shorter (2.00 Å) and one longer (2.03 Å) Mn(1)-O(2) bond length. There is one shorter (1.98 Å) and one longer (1.99 Å) Mn(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Y(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Mn(1) atoms.