YBaCuCoO5 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 BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Co(1)O5 trigonal bipyramids. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted CoO5 trigonal bipyramids that share corners with five equivalent Cu(1)O5 square pyramids and faces with four equivalent Ba(1)O12 cuboctahedra. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share corners with five equivalent Co(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 Y(1), one Co(1), and one Cu(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Co(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4CoCu octahedra. The corner-sharing octahedral tilt angles are 5°.
YBaCuCoO5 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 BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Co(1)O5 trigonal bipyramids. All Ba(1)-O(2) bond lengths are 2.76 Å. All Ba(1)-O(1) bond lengths are 3.09 Å. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Y(1)-O(1) bond lengths are 2.41 Å. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted CoO5 trigonal bipyramids that share corners with five equivalent Cu(1)O5 square pyramids and faces with four equivalent Ba(1)O12 cuboctahedra. The Co(1)-O(2) bond length is 1.80 Å. All Co(1)-O(1) bond lengths are 1.99 Å. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share corners with five equivalent Co(1)O5 trigonal bipyramids and faces with four equivalent Ba(1)O12 cuboctahedra. The Cu(1)-O(2) bond length is 2.31 Å. All Cu(1)-O(1) bond lengths are 1.98 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 Y(1), one Co(1), and one Cu(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Co(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4CoCu octahedra. The corner-sharing octahedral tilt angles are 5°.