TbBaMn2O6 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(4), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Tb(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. In the second O site, O(2) 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 6°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Tb(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms.
TbBaMn2O6 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(4), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Both Ba(1)-O(4) bond lengths are 3.17 Å. Both Ba(1)-O(5) bond lengths are 2.70 Å. All Ba(1)-O(1) bond lengths are 2.97 Å. There are two shorter (2.69 Å) and two longer (2.88 Å) Ba(1)-O(2) bond lengths. Tb(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Both Tb(1)-O(3) bond lengths are 2.38 Å. Both Tb(1)-O(4) bond lengths are 2.56 Å. Both Tb(1)-O(5) bond lengths are 2.77 Å. All Tb(1)-O(1) bond lengths are 2.57 Å. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-28°. The Mn(1)-O(2) bond length is 2.02 Å. The Mn(1)-O(3) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 1.99 Å. The Mn(1)-O(5) bond length is 1.97 Å. Both Mn(1)-O(1) bond lengths are 2.00 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. In the second O site, O(2) 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 6°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Tb(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms.