Y2(CuO2)3 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing YO6 octahedra. In the second Y site, Y(2) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted edge-sharing YO6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(6) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cu(1) atom. In the second O site, O(2) is bonded to one Y(2), two equivalent Y(1), and one Cu(3) atom to form a mixture of corner and edge-sharing OY3Cu tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OY3Cu tetrahedra.
Y2(CuO2)3 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing YO6 octahedra. The Y(1)-O(1) bond length is 2.20 Å. The Y(1)-O(6) bond length is 2.34 Å. Both Y(1)-O(2) bond lengths are 2.36 Å. Both Y(1)-O(4) bond lengths are 2.23 Å. In the second Y site, Y(2) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted edge-sharing YO6 octahedra. The Y(2)-O(2) bond length is 2.38 Å. The Y(2)-O(5) bond length is 2.22 Å. There is one shorter (2.24 Å) and one longer (2.25 Å) Y(2)-O(3) bond length. There is one shorter (2.38 Å) and one longer (2.39 Å) Y(2)-O(6) bond length. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(4) atom. The Cu(1)-O(1) bond length is 1.73 Å. The Cu(1)-O(4) bond length is 1.73 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(6) atom. The Cu(2)-O(3) bond length is 1.80 Å. The Cu(2)-O(6) bond length is 1.81 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(5) atom. The Cu(3)-O(2) bond length is 1.78 Å. The Cu(3)-O(5) bond length is 1.74 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Cu(1) atom. In the second O site, O(2) is bonded to one Y(2), two equivalent Y(1), and one Cu(3) atom to form a mixture of corner and edge-sharing OY3Cu tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OY3Cu tetrahedra.