Yb2Co2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form YbO12 cuboctahedra that share corners with four equivalent Yb(2)O12 cuboctahedra, faces with four equivalent Yb(2)O12 cuboctahedra, and faces with eight equivalent Co(1)O5 square pyramids. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form CoO5 square pyramids that share corners with five equivalent Co(1)O5 square pyramids and faces with four equivalent Yb(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to four equivalent Yb(2) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OYb4Co2 octahedra. The corner-sharing octahedra are not tilted.
Yb2Co2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Yb(1)-O(1) bond lengths are 2.40 Å. In the second Yb site, Yb(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form YbO12 cuboctahedra that share corners with four equivalent Yb(2)O12 cuboctahedra, faces with four equivalent Yb(2)O12 cuboctahedra, and faces with eight equivalent Co(1)O5 square pyramids. All Yb(2)-O(2) bond lengths are 2.64 Å. All Yb(2)-O(1) bond lengths are 2.83 Å. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form CoO5 square pyramids that share corners with five equivalent Co(1)O5 square pyramids and faces with four equivalent Yb(2)O12 cuboctahedra. The Co(1)-O(2) bond length is 1.89 Å. All Co(1)-O(1) bond lengths are 1.88 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to four equivalent Yb(2) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OYb4Co2 octahedra. The corner-sharing octahedra are not tilted.