Ba2Y(Cu2O3)2 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Y(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1) and three equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(2) atom to form OBa4Cu2 octahedra that share corners with four equivalent O(1)Ba4Cu2 octahedra, corners with five equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(3)Ba2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1) and three equivalent Cu(1) atoms to form distorted OBa2Cu3 trigonal bipyramids that share corners with five equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with two equivalent O(3)Ba2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°.
Ba2Y(Cu2O3)2 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Ba(1)-O(2) bond lengths are 3.10 Å. Both Ba(1)-O(3) bond lengths are 2.83 Å. All Ba(1)-O(1) bond lengths are 2.74 Å. Y(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. All Y(1)-O(2) bond lengths are 2.36 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1) and three equivalent O(3) atoms. The Cu(1)-O(1) bond length is 1.95 Å. There are two shorter (1.90 Å) and one longer (1.95 Å) Cu(1)-O(3) bond length. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(1) and two equivalent O(2) atoms. The Cu(2)-O(1) bond length is 2.13 Å. Both Cu(2)-O(2) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(2) atom to form OBa4Cu2 octahedra that share corners with four equivalent O(1)Ba4Cu2 octahedra, corners with five equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(3)Ba2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1) and three equivalent Cu(1) atoms to form distorted OBa2Cu3 trigonal bipyramids that share corners with five equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with two equivalent O(3)Ba2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°.