Sr2CuO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Cu(1) atom.
Sr2CuO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Sr(1)-O(2) bond lengths are 2.88 Å. All Sr(1)-O(1) bond lengths are 2.49 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There is one shorter (2.40 Å) and two longer (2.86 Å) Sr(2)-O(2) bond lengths. All Sr(2)-O(1) bond lengths are 2.67 Å. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(2) bond length is 2.18 Å. All Cu(1)-O(1) bond lengths are 1.97 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Cu(1) atom.