Ba2Cu2O5 crystallizes in the orthorhombic Ima2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 2°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted CuO4 trigonal pyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Cu(2) atoms.
Ba2Cu2O5 crystallizes in the orthorhombic Ima2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There is one shorter (2.81 Å) and one longer (3.27 Å) Ba(1)-O(3) bond length. There are a spread of Ba(1)-O(1) bond distances ranging from 2.74-2.85 Å. There are a spread of Ba(1)-O(2) bond distances ranging from 2.72-3.05 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 2°. Both Cu(1)-O(2) bond lengths are 2.46 Å. There are two shorter (2.01 Å) and two longer (2.02 Å) Cu(1)-O(1) bond lengths. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted CuO4 trigonal pyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 19°. Both Cu(2)-O(2) bond lengths are 1.83 Å. There is one shorter (1.85 Å) and one longer (1.89 Å) Cu(2)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Cu(2) atoms.