TbBaMn2O5 crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Mn(2)O5 square pyramids, and faces with four equivalent Mn(1)O5 trigonal bipyramids. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted MnO5 trigonal bipyramids that share corners with five equivalent Mn(2)O5 square pyramids and faces with four equivalent Ba(1)O12 cuboctahedra. In the second Mn site, Mn(2) is bonded to one O(2) and four equivalent O(1) atoms to form MnO5 square pyramids that share corners with five equivalent Mn(1)O5 trigonal bipyramids and faces with four equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°.
TbBaMn2O5 crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Mn(2)O5 square pyramids, and faces with four equivalent Mn(1)O5 trigonal bipyramids. All Ba(1)-O(2) bond lengths are 2.82 Å. All Ba(1)-O(1) bond lengths are 3.21 Å. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Tb(1)-O(1) bond lengths are 2.44 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted MnO5 trigonal bipyramids that share corners with five equivalent Mn(2)O5 square pyramids and faces with four equivalent Ba(1)O12 cuboctahedra. The Mn(1)-O(2) bond length is 2.07 Å. All Mn(1)-O(1) bond lengths are 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(2) and four equivalent O(1) atoms to form MnO5 square pyramids that share corners with five equivalent Mn(1)O5 trigonal bipyramids and faces with four equivalent Ba(1)O12 cuboctahedra. The Mn(2)-O(2) bond length is 2.10 Å. All Mn(2)-O(1) bond lengths are 1.97 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°.