Sr2Cu3O5 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and 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(2) and three equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Cu(1) atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with two equivalent O(3)Sr4Cu2 octahedra, corners with five equivalent O(2)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids,  an edgeedge with one O(3)Sr4Cu2 octahedra, edges with two equivalent O(1)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form OSr4Cu2 octahedra that share corners with four equivalent O(3)Sr4Cu2 octahedra, corners with five equivalent O(2)Sr4Cu2 octahedra, corners with five equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with four equivalent O(2)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr4Cu2 octahedra, and faces with two equivalent O(1)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Cu(2) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(3)Sr4Cu2 octahedra, corners with eight equivalent O(2)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with two equivalent O(3)Sr4Cu2 octahedra, edges with two equivalent O(1)Sr2Cu3 trigonal bipyramids, and faces with four equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°.
Sr2Cu3O5 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Both Sr(1)-O(1) bond lengths are 2.63 Å. Both Sr(1)-O(3) bond lengths are 2.62 Å. All Sr(1)-O(2) bond lengths are 2.62 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(2) and three equivalent O(1) atoms. The Cu(1)-O(2) bond length is 1.89 Å. There is one shorter (1.89 Å) and two longer (1.96 Å) Cu(1)-O(1) bond lengths. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(2)-O(2) bond lengths are 1.98 Å. Both Cu(2)-O(3) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Cu(1) atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with two equivalent O(3)Sr4Cu2 octahedra, corners with five equivalent O(2)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids,  an edgeedge with one O(3)Sr4Cu2 octahedra, edges with two equivalent O(1)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form OSr4Cu2 octahedra that share corners with four equivalent O(3)Sr4Cu2 octahedra, corners with five equivalent O(2)Sr4Cu2 octahedra, corners with five equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with four equivalent O(2)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr4Cu2 octahedra, and faces with two equivalent O(1)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Cu(2) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(3)Sr4Cu2 octahedra, corners with eight equivalent O(2)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with two equivalent O(3)Sr4Cu2 octahedra, edges with two equivalent O(1)Sr2Cu3 trigonal bipyramids, and faces with four equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°.