Yb2BaCuO5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted YbO7 pentagonal bipyramids that share corners with five equivalent Cu(1)O5 square pyramids, edges with two equivalent Yb(1)O7 pentagonal bipyramids, and  an edgeedge with one Cu(1)O5 square pyramid. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with five equivalent Yb(1)O7 pentagonal bipyramids and  an edgeedge with one Yb(1)O7 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1), one Yb(1), one Yb(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa3Yb2Cu octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Yb(1), two equivalent Yb(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Yb(2), two equivalent Yb(1), and one Cu(1) atom.
Yb2BaCuO5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There is one shorter (2.65 Å) and two longer (2.82 Å) Ba(1)-O(1) bond lengths. There are two shorter (2.86 Å) and two longer (2.94 Å) Ba(1)-O(2) bond lengths. There are two shorter (3.00 Å) and two longer (3.18 Å) Ba(1)-O(3) bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted YbO7 pentagonal bipyramids that share corners with five equivalent Cu(1)O5 square pyramids, edges with two equivalent Yb(1)O7 pentagonal bipyramids, and  an edgeedge with one Cu(1)O5 square pyramid. The Yb(1)-O(1) bond length is 2.35 Å. Both Yb(1)-O(2) bond lengths are 2.47 Å. There are two shorter (2.34 Å) and two longer (2.40 Å) Yb(1)-O(3) bond lengths. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. The Yb(2)-O(1) bond length is 2.36 Å. Both Yb(2)-O(3) bond lengths are 2.33 Å. All Yb(2)-O(2) bond lengths are 2.34 Å. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with five equivalent Yb(1)O7 pentagonal bipyramids and  an edgeedge with one Yb(1)O7 pentagonal bipyramid. The Cu(1)-O(1) bond length is 2.07 Å. Both Cu(1)-O(2) bond lengths are 1.90 Å. Both Cu(1)-O(3) bond lengths are 1.89 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1), one Yb(1), one Yb(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa3Yb2Cu octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Yb(1), two equivalent Yb(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Yb(2), two equivalent Yb(1), and one Cu(1) atom.