BaDyTb2O6 crystallizes in the tetragonal P4_2/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded to four equivalent O(3) and eight equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share faces with two equivalent Ba(2)O12 cuboctahedra and faces with eight equivalent Tb(1)O6 octahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Dy site, Dy(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-44°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Dy(2), and two equivalent Tb(1) atoms. In the second O site, O(1) is bonded to one Ba(1), one Dy(1), and two equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing OBaTb2Dy tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and two equivalent Tb(1) atoms.
BaDyTb2O6 crystallizes in the tetragonal P4_2/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ba(1)-O(1) bond lengths are 2.90 Å. All Ba(1)-O(2) bond lengths are 2.75 Å. In the second Ba site, Ba(2) is bonded to four equivalent O(3) and eight equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share faces with two equivalent Ba(2)O12 cuboctahedra and faces with eight equivalent Tb(1)O6 octahedra. All Ba(2)-O(3) bond lengths are 3.26 Å. There are four shorter (2.93 Å) and four longer (3.42 Å) Ba(2)-O(2) bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Dy(1)-O(1) bond lengths are 2.28 Å. In the second Dy site, Dy(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Dy(2)-O(3) bond lengths are 2.25 Å. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-44°. Both Tb(1)-O(1) bond lengths are 2.26 Å. Both Tb(1)-O(2) bond lengths are 2.23 Å. Both Tb(1)-O(3) bond lengths are 2.35 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Dy(2), and two equivalent Tb(1) atoms. In the second O site, O(1) is bonded to one Ba(1), one Dy(1), and two equivalent Tb(1) atoms to form a mixture of distorted corner and edge-sharing OBaTb2Dy tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and two equivalent Tb(1) atoms.