YBaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), four equivalent O(3), and four equivalent O(5) atoms. Y(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 7-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms.
YBaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), four equivalent O(3), and four equivalent O(5) atoms. There is one shorter (2.61 Å) and one longer (2.88 Å) Ba(1)-O(1) bond length. There is one shorter (2.99 Å) and one longer (3.29 Å) Ba(1)-O(4) bond length. There are two shorter (2.70 Å) and two longer (2.87 Å) Ba(1)-O(3) bond lengths. There are two shorter (2.78 Å) and two longer (3.17 Å) Ba(1)-O(5) bond lengths. Y(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. The Y(1)-O(1) bond length is 2.51 Å. Both Y(1)-O(2) bond lengths are 2.38 Å. There is one shorter (2.38 Å) and one longer (2.86 Å) Y(1)-O(4) bond length. There are two shorter (2.44 Å) and two longer (2.73 Å) Y(1)-O(5) bond lengths. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 7-27°. The Mn(1)-O(1) bond length is 1.99 Å. The Mn(1)-O(2) bond length is 1.95 Å. The Mn(1)-O(3) bond length is 2.03 Å. The Mn(1)-O(4) bond length is 1.99 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Mn(1)-O(5) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms.