YSr2Cu3O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form distorted OSr4Cu2 octahedra that share corners with five equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr2Cu2 tetrahedra, edges with four equivalent O(4)Sr4Cu2 octahedra, and edges with two equivalent O(1)Sr2Cu2 tetrahedra. The corner-sharing octahedral tilt angles range from 17-23°. In the second O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted OSr2Cu2 tetrahedra that share corners with four equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr2Cu2 tetrahedra, and edges with four equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 81-83°. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(2) atoms.
YSr2Cu3O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. The Sr(1)-O(1) bond length is 2.45 Å. There is one shorter (2.82 Å) and one longer (2.87 Å) Sr(1)-O(2) bond length. There is one shorter (2.84 Å) and one longer (2.86 Å) Sr(1)-O(3) bond length. There are a spread of Sr(1)-O(4) bond distances ranging from 2.69-2.79 Å. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two shorter (2.39 Å) and two longer (2.43 Å) Y(1)-O(2) bond lengths. There are two shorter (2.39 Å) and two longer (2.43 Å) Y(1)-O(3) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. There is one shorter (1.87 Å) and one longer (1.98 Å) Cu(1)-O(1) bond length. Both Cu(1)-O(4) bond lengths are 1.89 Å. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(4) bond length is 2.23 Å. Both Cu(2)-O(2) bond lengths are 1.94 Å. Both Cu(2)-O(3) bond lengths are 1.94 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form distorted OSr4Cu2 octahedra that share corners with five equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr2Cu2 tetrahedra, edges with four equivalent O(4)Sr4Cu2 octahedra, and edges with two equivalent O(1)Sr2Cu2 tetrahedra. The corner-sharing octahedral tilt angles range from 17-23°. In the second O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Cu(1) atoms to form distorted OSr2Cu2 tetrahedra that share corners with four equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr2Cu2 tetrahedra, and edges with four equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 81-83°. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(2) atoms.