BaCuO2 crystallizes in the orthorhombic Pbam space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to four equivalent Ba(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 58°.
BaCuO2 crystallizes in the orthorhombic Pbam space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two shorter (2.93 Å) and two longer (2.94 Å) Ba(1)-O(1) bond lengths. All Ba(1)-O(2) bond lengths are 2.72 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.96 Å. Both Cu(1)-O(2) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to four equivalent Ba(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 58°.