Tm2Pd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Tm site, Tm(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form TmO12 cuboctahedra that share corners with four equivalent Tm(2)O12 cuboctahedra, faces with four equivalent Tm(2)O12 cuboctahedra, and faces with eight equivalent Pd(1)O5 square pyramids. Pd(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted PdO5 square pyramids that share corners with five equivalent Pd(1)O5 square pyramids and faces with four equivalent Tm(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), two equivalent Tm(2), and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to four equivalent Tm(2) and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°.
Tm2Pd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Tm(1)-O(1) bond lengths are 2.54 Å. In the second Tm site, Tm(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form TmO12 cuboctahedra that share corners with four equivalent Tm(2)O12 cuboctahedra, faces with four equivalent Tm(2)O12 cuboctahedra, and faces with eight equivalent Pd(1)O5 square pyramids. All Tm(2)-O(2) bond lengths are 2.84 Å. All Tm(2)-O(1) bond lengths are 2.77 Å. Pd(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted PdO5 square pyramids that share corners with five equivalent Pd(1)O5 square pyramids and faces with four equivalent Tm(2)O12 cuboctahedra. The Pd(1)-O(2) bond length is 2.13 Å. All Pd(1)-O(1) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), two equivalent Tm(2), and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to four equivalent Tm(2) and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°.