Yb2Cu2O5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing YbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 28-82°. In the second Yb site, Yb(2) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing YbO6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Yb(2), two equivalent Yb(1), and one Cu(1) atom to form distorted corner-sharing OYb3Cu tetrahedra. In the second O site, O(1) is bonded to one Yb(1), two equivalent Yb(2), and one Cu(2) atom to form distorted corner-sharing OYb3Cu trigonal pyramids. In the third O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Yb(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(2), one Cu(1), and one Cu(2) atom. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Yb(2), one Cu(1), and one Cu(2) atom.
Yb2Cu2O5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing YbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 28-82°. The Yb(1)-O(1) bond length is 2.24 Å. The Yb(1)-O(3) bond length is 2.32 Å. There is one shorter (2.34 Å) and one longer (2.39 Å) Yb(1)-O(2) bond length. There is one shorter (2.26 Å) and one longer (2.27 Å) Yb(1)-O(5) bond length. In the second Yb site, Yb(2) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing YbO6 octahedra. The Yb(2)-O(3) bond length is 2.30 Å. The Yb(2)-O(5) bond length is 2.20 Å. There is one shorter (2.26 Å) and one longer (2.28 Å) Yb(2)-O(1) bond length. There is one shorter (2.30 Å) and one longer (2.36 Å) Yb(2)-O(4) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. The Cu(1)-O(2) bond length is 1.83 Å. The Cu(1)-O(3) bond length is 1.83 Å. The Cu(1)-O(4) bond length is 1.87 Å. The Cu(1)-O(5) bond length is 1.80 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(2)-O(1) bond length is 1.81 Å. The Cu(2)-O(2) bond length is 1.85 Å. The Cu(2)-O(3) bond length is 1.83 Å. The Cu(2)-O(4) bond length is 1.84 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Yb(2), two equivalent Yb(1), and one Cu(1) atom to form distorted corner-sharing OYb3Cu tetrahedra. In the second O site, O(1) is bonded to one Yb(1), two equivalent Yb(2), and one Cu(2) atom to form distorted corner-sharing OYb3Cu trigonal pyramids. In the third O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Yb(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(2), one Cu(1), and one Cu(2) atom. In the fifth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Yb(2), one Cu(1), and one Cu(2) atom.